QML: A Python Toolkit for Quantum Machine Learning

Related tags

Machine Learningqml
Overview

QML: A Python Toolkit for Quantum Machine Learning

Build Status doi doi

QML is a Python2/3-compatible toolkit for representation learning of properties of molecules and solids.

Current list of contributors:

  • Anders S. Christensen (University of Basel)
  • Felix A. Faber (University of Basel)
  • Bing Huang (University of Basel)
  • Lars A. Bratholm (University of Copenhagen)
  • Alexandre Tkatchenko (University of Luxembourg)
  • Klaus-Robert Muller (Technische Universitat Berlin/Korea University)
  • O. Anatole von Lilienfeld (University of Basel)

1) Citing QML:

Until the preprint is available from arXiv, please cite this GitHub repository as:

AS Christensen, LA Bratholm, FA Faber, B Huang, A Tkatchenko, KR Muller, OA von Lilienfeld (2017) "QML: A Python Toolkit for Quantum Machine Learning" https://github.com/qmlcode/qml

2) Get help:

Documentation and installation instruction is found at: http://www.qmlcode.org/

3) License:

QML is freely available under the terms of the MIT license.

Comments
  • Problem with installing QML on MAC

    Problem with installing QML on MAC

    I have Mac with Sierra OS. I have installed BLAS, LAPACK as well as ASE and gnu compilers from macport. When I try python setup.py install I get: resetting extension 'farad_kernels' language from '/opt/local/bin/gfortran-mp-7' to 'f77'. resetting extension 'fcho_solve' language from '/opt/local/bin/gfortran-mp-7' to 'f77'. resetting extension 'fdistance' language from '/opt/local/bin/gfortran-mp-7' to 'f77'. resetting extension 'fkernels' language from '/opt/local/bin/gfortran-mp-7' to 'f77'. resetting extension 'frepresentations' language from '/opt/local/bin/gfortran-mp-7' to 'f77'. customize Gnu95FCompiler Could not locate executable gfortran Could not locate executable f95 customize NAGFCompiler customize AbsoftFCompiler Could not locate executable f90 Could not locate executable f77 customize IBMFCompiler Could not locate executable xlf90 Could not locate executable xlf customize IntelFCompiler Could not locate executable ifort Could not locate executable ifc customize GnuFCompiler Could not locate executable g77 customize G95FCompiler Could not locate executable g95 customize PGroupFCompiler Could not locate executable pgfortran don't know how to compile Fortran code on platform 'posix' warning: build_ext: f77_compiler=None is not available.

    building 'farad_kernels' extension error: extension 'farad_kernels' has Fortran sources but no Fortran compiler found bash-3.2$

    I have give the full path in setup.py for FORTRAN = "/opt/local/bin/gfortran-mp-7"

    Please let me know what I need to do to resolve the issue.

    opened by yghadar 16
  • UnicodeDecodeError from setup.py

    UnicodeDecodeError from setup.py

    probably my setup, but happens on both my macbook and linux desktop at work (both with python 3)

    p setup.py install --prefix=/Users/strange/qmlcode MKL-discover: MKLROOT was not set Traceback (most recent call last): File "setup.py", line 170, in setup_pepytools() File "setup.py", line 149, in setup_pepytools long_description = readme(), File "setup.py", line 134, in readme return f.read() File "/usr/local/Cellar/python3/3.6.4_2/Frameworks/Python.framework/Versions/3.6/lib/python3.6/encodings/ascii.py", line 26, in decode return codecs.ascii_decode(input, self.errors)[0]

    Following seems to fix it:

    diff --git a/setup.py b/setup.py
    index 495f7e8..2ce0397 100755
    --- a/setup.py
    +++ b/setup.py
    @@ -130,7 +130,7 @@ ext_fslatm = Extension(name = 'fslatm',
     
     # use README.md as long description
     def readme():
    -    with open('README.md') as f:
    +    with open('README.md', encoding='latin1') as f:
             return f.read()
    
    opened by mikstr 6
  • Any documents about the use of  FCHL19?

    Any documents about the use of FCHL19?

    Hi,

    It is a great work of the FCHL19 in https://arxiv.org/pdf/1909.01946.pdf I searched the source code and had no idea where FCHL19 located. Is that possible to provide a basic example of the FCHL19?

    Thanks, Xinyu

    opened by lixinyuu 3
  • Remove Dataprovider from data/ remove ASE dependency

    Remove Dataprovider from data/ remove ASE dependency

    As said in title. These are superseeded by the QMLearn interface.

    This will also remove the dependency on ASE, as far as I can see.

    Any downsides to this @larsbratholm ?

    opened by andersx 3
  • QML install error, MKLROOT not set?

    QML install error, MKLROOT not set?

    Hi all, When attempting to install the QML package for python 3.8.3 an error returned. I've followed the installation guide for intel compilers and have installed ifort, mkl, numpy and scikit-learn. Looking through the message it says that MKLROOT is not set. Checking in system variables confirms this. There is a variable for ifort_compiler20 and mkl_serial, probably indicating succesfull installation.

    What should mklroot be set to and is it the problem in this situation?

    The error message is:

    Collecting qml Using cached https://files.pythonhosted.org/packages/7b/f3/c08d18659054cdf5e5dc531ee32ab20e6aa1d3772545837557828a03b1f5/qml-0.4.0.27.tar.gz Installing collected packages: qml Running setup.py install for qml ... error ERROR: Command errored out with exit status 1: command: 'c:\users\BRS\appdata\local\programs\python\python38\python.exe' -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py'"'"'; file='"'"'C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(file);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, file, '"'"'exec'"'"'))' build --compiler=intelem --fcompiler=intelem install --record 'C:\Users\BRS\AppData\Local\Temp\pip-record-537c7i8_\install-record.txt' --single-version-externally-managed --compile --user --prefix= cwd: C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml
    Complete output (103 lines): MKL-discover: MKLROOT was not set running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "ffchl_module" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\ffchl_module-f2pywrappers.f' to sources. adding 'build\src.win-amd64-3.8\ffchl_module-f2pywrappers2.f90' to sources. building extension "farad_kernels" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\farad_kernels-f2pywrappers.f' to sources. adding 'build\src.win-amd64-3.8\farad_kernels-f2pywrappers2.f90' to sources. building extension "fcho_solve" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\fcho_solve-f2pywrappers.f' to sources. building extension "fdistance" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\fdistance-f2pywrappers.f' to sources. building extension "fkernels" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\fkernels-f2pywrappers.f' to sources. building extension "fslatm" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\fslatm-f2pywrappers.f' to sources. adding 'build\src.win-amd64-3.8\fslatm-f2pywrappers2.f90' to sources. building extension "frepresentations" sources f2py options: ['--quiet'] adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8\fortranobject.c' to sources. adding 'build\src.win-amd64-3.8\build\src.win-amd64-3.8' to include_dirs. adding 'build\src.win-amd64-3.8\frepresentations-f2pywrappers.f' to sources. adding 'build\src.win-amd64-3.8\frepresentations-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py creating build\lib.win-amd64-3.8 creating build\lib.win-amd64-3.8\qml copying qml\alchemy.py -> build\lib.win-amd64-3.8\qml copying qml\arad.py -> build\lib.win-amd64-3.8\qml copying qml\compound.py -> build\lib.win-amd64-3.8\qml copying qml\data.py -> build\lib.win-amd64-3.8\qml copying qml\distance.py -> build\lib.win-amd64-3.8\qml copying qml\fchl.py -> build\lib.win-amd64-3.8\qml copying qml\kernels.py -> build\lib.win-amd64-3.8\qml copying qml\math.py -> build\lib.win-amd64-3.8\qml copying qml\representations.py -> build\lib.win-amd64-3.8\qml copying qml\slatm.py -> build\lib.win-amd64-3.8\qml copying qml\wrappers.py -> build\lib.win-amd64-3.8\qml copying qml_init_.py -> build\lib.win-amd64-3.8\qml running build_ext Could not locate executable icc Could not locate executable ecc customize IntelEM64TCCompiler customize IntelEM64TCCompiler using build_ext customize IntelEM64TFCompiler Could not locate executable ifort Could not locate executable efort Could not locate executable efc Traceback (most recent call last): File "", line 1, in File "C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py", line 172, in setup_pepytools() File "C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py", line 140, in setup_pepytools setup( File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\numpy\distutils\core.py", line 171, in setup return old_setup(**new_attr) File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\setuptools_init_.py", line 145, in setup return distutils.core.setup(**attrs) File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\core.py", line 148, in setup dist.run_commands() File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\dist.py", line 966, in run_commands self.run_command(cmd) File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\dist.py", line 985, in run_command cmd_obj.run() File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\numpy\distutils\command\build.py", line 42, in run old_build.run(self) File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\command\build.py", line 135, in run self.run_command(cmd_name) File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\cmd.py", line 313, in run_command self.distribution.run_command(command) File "c:\users\BRS\appdata\local\programs\python\python38\lib\distutils\dist.py", line 985, in run_command cmd_obj.run() File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\numpy\distutils\command\build_ext.py", line 239, in run fcompiler.customize(self.distribution) File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\numpy\distutils\fcompiler_init_.py", line 463, in customize self.find_executables() File "c:\users\BRS\appdata\local\programs\python\python38\lib\site-packages\numpy\distutils\fcompiler_init_.py", line 352, in find_executables raise CompilerNotFound('%s: f90 nor f77' % ctype) numpy.distutils.fcompiler.CompilerNotFound: intelem: f90 nor f77 ---------------------------------------- ERROR: Command errored out with exit status 1: 'c:\users\BRS\appdata\local\programs\python\python38\python.exe' -u -c 'import sys, setuptools, tokenize; sys.argv[0] = '"'"'C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py'"'"'; file='"'"'C:\Users\BRS\AppData\Local\Temp\pip-install-gn9koii5\qml\setup.py'"'"';f=getattr(tokenize, '"'"'open'"'"', open)(file);code=f.read().replace('"'"'\r\n'"'"', '"'"'\n'"'"');f.close();exec(compile(code, file, '"'"'exec'"'"'))' build --compiler=intelem --fcompiler=intelem install --record 'C:\Users\BRS\AppData\Local\Temp\pip-record-537c7i8_\install-record.txt' --single-version-externally-managed --compile --user --prefix= Check the logs for full command output.

    I'm new to python, help would be greatly appreciated.

    opened by BRS4511 2
  • pip3 install qml error

    pip3 install qml error

    Hello everyone, I have never had problems installing with pip3 before. I have Ubuntu 18.04.4 LTS. Thanks

    Collecting qml Downloading https://files.pythonhosted.org/packages/7b/f3/c08d18659054cdf5e5dc531ee32ab20e6aa1d3772545837557828a03b1f5/qml-0.4.0.27.tar.gz (41kB) 100% |████████████████████████████████| 51kB 1.2MB/s Building wheels for collected packages: qml Running setup.py bdist_wheel for qml ... error Complete output from command /usr/bin/python3 -u -c "import setuptools, tokenize;file='/tmp/pip-build-b9e7yqyc/qml/setup.py';f=getattr(tokenize, 'open', open)(file);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, file, 'exec'))" bdist_wheel -d /tmp/tmpm3f7m3g3pip-wheel- --python-tag cp36: MKL-discover: MKLROOT was not set running bdist_wheel running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "ffchl_module" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.f90' to sources. building extension "farad_kernels" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/farad_kernels-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/farad_kernels-f2pywrappers2.f90' to sources. building extension "fcho_solve" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fcho_solve-f2pywrappers.f' to sources. building extension "fdistance" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fdistance-f2pywrappers.f' to sources. building extension "fkernels" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fkernels-f2pywrappers.f' to sources. building extension "fslatm" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fslatm-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/fslatm-f2pywrappers2.f90' to sources. building extension "frepresentations" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/frepresentations-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/frepresentations-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py creating build/lib.linux-x86_64-3.6 creating build/lib.linux-x86_64-3.6/qml copying qml/compound.py -> build/lib.linux-x86_64-3.6/qml copying qml/representations.py -> build/lib.linux-x86_64-3.6/qml copying qml/data.py -> build/lib.linux-x86_64-3.6/qml copying qml/alchemy.py -> build/lib.linux-x86_64-3.6/qml copying qml/init.py -> build/lib.linux-x86_64-3.6/qml copying qml/fchl.py -> build/lib.linux-x86_64-3.6/qml copying qml/kernels.py -> build/lib.linux-x86_64-3.6/qml copying qml/slatm.py -> build/lib.linux-x86_64-3.6/qml copying qml/distance.py -> build/lib.linux-x86_64-3.6/qml copying qml/math.py -> build/lib.linux-x86_64-3.6/qml copying qml/wrappers.py -> build/lib.linux-x86_64-3.6/qml copying qml/arad.py -> build/lib.linux-x86_64-3.6/qml running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor']' customize Gnu95FCompiler customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'ffchl_module' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC

    creating build/temp.linux-x86_64-3.6/build creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6 creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c' extra options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp' x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.6/ffchl_modulemodule.c x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c compiling Fortran 90 module sources creating build/temp.linux-x86_64-3.6/qml Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c' extra options: '-Jbuild/temp.linux-x86_64-3.6/qml -Ibuild/temp.linux-x86_64-3.6/qml' extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp' gfortran:f90: qml/ffchl_module.f90 qml/ffchl_module.f90:275:36:

       & t_width, d_width, cut_distance, order, pd, ang_norm2, &
                                      1
    

    Warning: Unused dummy argument ‘cut_distance’ at (1) [-Wunused-dummy-argument] compiling Fortran sources Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c' extra options: '-Jbuild/temp.linux-x86_64-3.6/qml -Ibuild/temp.linux-x86_64-3.6/qml' extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp' gfortran:f90: qml/ffchl_scalar_kernels.f90 extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp' gfortran:f90: build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.f90 extra f77 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp' gfortran:f77: build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.f /usr/bin/gfortran -Wall -g -Wall -g -shared build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_modulemodule.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.o build/temp.linux-x86_64-3.6/qml/ffchl_module.o build/temp.linux-x86_64-3.6/qml/ffchl_scalar_kernels.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/7 -L/usr/lib/gcc/x86_64-linux-gnu/7 -lgfortran -o build/lib.linux-x86_64-3.6/qml/ffchl_module.cpython-36m-x86_64-linux-gnu.so -lgomp -lblas -llapack /usr/bin/ld: cannot find -lblas /usr/bin/ld: cannot find -llapack collect2: error: ld returned 1 exit status error: Command "/usr/bin/gfortran -Wall -g -Wall -g -shared build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_modulemodule.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.o build/temp.linux-x86_64-3.6/qml/ffchl_module.o build/temp.linux-x86_64-3.6/qml/ffchl_scalar_kernels.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/7 -L/usr/lib/gcc/x86_64-linux-gnu/7 -lgfortran -o build/lib.linux-x86_64-3.6/qml/ffchl_module.cpython-36m-x86_64-linux-gnu.so -lgomp -lblas -llapack" failed with exit status 1


    Failed building wheel for qml Running setup.py clean for qml Failed to build qml Installing collected packages: qml Running setup.py install for qml ... error Complete output from command /usr/bin/python3 -u -c "import setuptools, tokenize;file='/tmp/pip-build-b9e7yqyc/qml/setup.py';f=getattr(tokenize, 'open', open)(file);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, file, 'exec'))" install --record /tmp/pip-0kdli_b1-record/install-record.txt --single-version-externally-managed --compile --user --prefix=: MKL-discover: MKLROOT was not set running install running build running config_cc unifing config_cc, config, build_clib, build_ext, build commands --compiler options running config_fc unifing config_fc, config, build_clib, build_ext, build commands --fcompiler options running build_src build_src building extension "ffchl_module" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.f90' to sources. building extension "farad_kernels" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/farad_kernels-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/farad_kernels-f2pywrappers2.f90' to sources. building extension "fcho_solve" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fcho_solve-f2pywrappers.f' to sources. building extension "fdistance" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fdistance-f2pywrappers.f' to sources. building extension "fkernels" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fkernels-f2pywrappers.f' to sources. building extension "fslatm" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/fslatm-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/fslatm-f2pywrappers2.f90' to sources. building extension "frepresentations" sources f2py options: ['--quiet'] adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c' to sources. adding 'build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6' to include_dirs. adding 'build/src.linux-x86_64-3.6/frepresentations-f2pywrappers.f' to sources. adding 'build/src.linux-x86_64-3.6/frepresentations-f2pywrappers2.f90' to sources. build_src: building npy-pkg config files running build_py creating build/lib.linux-x86_64-3.6 creating build/lib.linux-x86_64-3.6/qml copying qml/compound.py -> build/lib.linux-x86_64-3.6/qml copying qml/representations.py -> build/lib.linux-x86_64-3.6/qml copying qml/data.py -> build/lib.linux-x86_64-3.6/qml copying qml/alchemy.py -> build/lib.linux-x86_64-3.6/qml copying qml/init.py -> build/lib.linux-x86_64-3.6/qml copying qml/fchl.py -> build/lib.linux-x86_64-3.6/qml copying qml/kernels.py -> build/lib.linux-x86_64-3.6/qml copying qml/slatm.py -> build/lib.linux-x86_64-3.6/qml copying qml/distance.py -> build/lib.linux-x86_64-3.6/qml copying qml/math.py -> build/lib.linux-x86_64-3.6/qml copying qml/wrappers.py -> build/lib.linux-x86_64-3.6/qml copying qml/arad.py -> build/lib.linux-x86_64-3.6/qml running build_ext customize UnixCCompiler customize UnixCCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor']' customize Gnu95FCompiler Found executable /usr/bin/gfortran customize Gnu95FCompiler customize Gnu95FCompiler using build_ext get_default_fcompiler: matching types: '['gnu95', 'intel', 'lahey', 'pg', 'absoft', 'nag', 'vast', 'compaq', 'intele', 'intelem', 'gnu', 'g95', 'pathf95', 'nagfor']' customize Gnu95FCompiler customize Gnu95FCompiler customize Gnu95FCompiler using build_ext building 'ffchl_module' extension compiling C sources C compiler: x86_64-linux-gnu-gcc -pthread -DNDEBUG -g -fwrapv -O2 -Wall -g -fstack-protector-strong -Wformat -Werror=format-security -Wdate-time -D_FORTIFY_SOURCE=2 -fPIC

    creating build/temp.linux-x86_64-3.6/build
    creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6
    creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build
    creating build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6
    compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c'
    extra options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp'
    x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.6/ffchl_modulemodule.c
    x86_64-linux-gnu-gcc: build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.c
    compiling Fortran 90 module sources
    creating build/temp.linux-x86_64-3.6/qml
    Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops
    Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops
    Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops
    compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c'
    extra options: '-Jbuild/temp.linux-x86_64-3.6/qml -Ibuild/temp.linux-x86_64-3.6/qml'
    extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp'
    gfortran:f90: qml/ffchl_module.f90
    qml/ffchl_module.f90:275:36:
    
         & t_width, d_width, cut_distance, order, pd, ang_norm2, &
                                        1
    Warning: Unused dummy argument ‘cut_distance’ at (1) [-Wunused-dummy-argument]
    compiling Fortran sources
    Fortran f77 compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -fPIC -O3 -funroll-loops
    Fortran f90 compiler: /usr/bin/gfortran -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops
    Fortran fix compiler: /usr/bin/gfortran -Wall -g -ffixed-form -fno-second-underscore -Wall -g -fno-second-underscore -fPIC -O3 -funroll-loops
    compile options: '-Ibuild/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6 -I/home/graggi/.local/lib/python3.6/site-packages/numpy/core/include -I/usr/include/python3.6m -c'
    extra options: '-Jbuild/temp.linux-x86_64-3.6/qml -Ibuild/temp.linux-x86_64-3.6/qml'
    extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp'
    gfortran:f90: qml/ffchl_scalar_kernels.f90
    extra f90 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp'
    gfortran:f90: build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.f90
    extra f77 options: '-O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp'
    gfortran:f77: build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.f
    /usr/bin/gfortran -Wall -g -Wall -g -shared build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_modulemodule.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.o build/temp.linux-x86_64-3.6/qml/ffchl_module.o build/temp.linux-x86_64-3.6/qml/ffchl_scalar_kernels.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/7 -L/usr/lib/gcc/x86_64-linux-gnu/7 -lgfortran -o build/lib.linux-x86_64-3.6/qml/ffchl_module.cpython-36m-x86_64-linux-gnu.so -lgomp -lblas -llapack
    /usr/bin/ld: cannot find -lblas
    /usr/bin/ld: cannot find -llapack
    collect2: error: ld returned 1 exit status
    error: Command "/usr/bin/gfortran -Wall -g -Wall -g -shared build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_modulemodule.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/build/src.linux-x86_64-3.6/fortranobject.o build/temp.linux-x86_64-3.6/qml/ffchl_module.o build/temp.linux-x86_64-3.6/qml/ffchl_scalar_kernels.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers.o build/temp.linux-x86_64-3.6/build/src.linux-x86_64-3.6/ffchl_module-f2pywrappers2.o -L/usr/lib/gcc/x86_64-linux-gnu/7 -L/usr/lib/gcc/x86_64-linux-gnu/7 -lgfortran -o build/lib.linux-x86_64-3.6/qml/ffchl_module.cpython-36m-x86_64-linux-gnu.so -lgomp -lblas -llapack" failed with exit status 1
    
    ----------------------------------------
    

    Command "/usr/bin/python3 -u -c "import setuptools, tokenize;file='/tmp/pip-build-b9e7yqyc/qml/setup.py';f=getattr(tokenize, 'open', open)(file);code=f.read().replace('\r\n', '\n');f.close();exec(compile(code, file, 'exec'))" install --record /tmp/pip-0kdli_b1-record/install-record.txt --single-version-externally-managed --compile --user --prefix=" failed with error code 1 in /tmp/pip-build-b9e7yqyc/qml/

    opened by graggi 2
  • Some basic functionality for the Compound class

    Some basic functionality for the Compound class

    It's not a bug but rather an enhancement / feature request : when creating mol objects using the Compound class to then generate a Coulomb matrix with mol.generate_coulomb_matrix, we have to specify the desired size of the Coulomb matrix with the size argument. It would be nice if properties such as the number of atoms were available in the Compound class. Currently I'm working around this by reading in the coordinates and atom types from the xyz files myself and generating Coulomb matrices using the representations.generate_coulomb_matrix function instead.

    opened by puckvg 2
  • FCHL python/fortran interface bug

    FCHL python/fortran interface bug

    The same fortran function is called two different places in the code, using different parameters.

    https://github.com/qmlcode/qml/blob/develop/qml/fchl/fchl_scalar_kernels.py#L132

    https://github.com/qmlcode/qml/blob/develop/qml/fchl/fchl_kernels.py#L148

    One has a verbose flag and one does not, so one of them must be wrong?

    bug 
    opened by larsbratholm 2
  • move qml.ml.* python modules to qml.*

    move qml.ml.* python modules to qml.*

    On second thought it seems unnecessary to type qml.ml.respresentations, rather than qml.representations.

    Anybody against me moving it back to it's former dir?

    enhancement non-critical QOL 
    opened by andersx 2
  • New Examples

    New Examples

    Moved the existing QML examples into a notebook and added aglaia examples. The aglaia examples can be run in the notebook. We might have to modify the existing QML examples at some point so that they can be run too.

    Also made modifications to the aglaia module so that it is consistent with QML in using the word "representation" instead of "descriptor".

    opened by SilviaAmAm 2
  • Doc issue (Mac Fortran support)

    Doc issue (Mac Fortran support)

    I was looking through the documentation to try it out. :-)

    "Clang Fortran compiler" was mentioned here: http://www.qmlcode.org/installation.html#note-on-apple-mac-support

    I think you mean that the "GCC Fortran compiler, gfortran" through homebrew does not include OpenMP support.

    AFAIK, there is no Clang Fortran compiler.

    You can get a gfortran from here, which I think includes the OpenMP support: http://hpc.sourceforge.net

    opened by ghutchis 2
  • QML on Apple silicon

    QML on Apple silicon

    Is there a way to build this into a MacBook Air with Apple Silicon (M1)? I'm trying, but there were a lot of errors complaining the lack of a FORTRAN compiler. Here is my output of python setup.py build --help-fcompiler

    Gnu95FCompiler instance properties:
      archiver        = ['/opt/homebrew/bin/gfortran', '-cr']
      compile_switch  = '-c'
      compiler_f77    = ['/opt/homebrew/bin/gfortran', '-Wall', '-g', '-ffixed-
                        form', '-fno-second-underscore', '-fPIC', '-O3', '-funroll
                        -loops']
      compiler_f90    = ['/opt/homebrew/bin/gfortran', '-Wall', '-g', '-fno-
                        second-underscore', '-fPIC', '-O3', '-funroll-loops']
      compiler_fix    = ['/opt/homebrew/bin/gfortran', '-Wall', '-g', '-ffixed-
                        form', '-fno-second-underscore', '-Wall', '-g', '-fno-
                        second-underscore', '-fPIC', '-O3', '-funroll-loops']
      libraries       = ['gfortran']
      library_dirs    =
                        ['/opt/homebrew/Cellar/gcc/11.2.0_3/bin/../lib/gcc/11/gcc/
                        aarch64-apple-darwin21/11',
                        '/opt/homebrew/Cellar/gcc/11.2.0_3/bin/../lib/gcc/11/gcc/a
                        arch64-apple-darwin21/11/../../..',
                        '/opt/homebrew/Cellar/gcc/11.2.0_3/bin/../lib/gcc/11/gcc/a
                        arch64-apple-darwin21/11/../../..']
      linker_exe      = ['/opt/homebrew/bin/gfortran', '-Wall', '-Wall']
      linker_so       = ['/opt/homebrew/bin/gfortran', '-Wall', '-g', '-Wall', '
                        -g', '-undefined', 'dynamic_lookup', '-bundle']
      object_switch   = '-o '
      ranlib          = ['/opt/homebrew/bin/gfortran']
      version         = LooseVersion ('11')
      version_cmd     = ['/opt/homebrew/bin/gfortran', '-dumpversion']
    Fortran compilers found:
      --fcompiler=gnu95  GNU Fortran 95 compiler (11)
    Compilers available for this platform, but not found:
      --fcompiler=absoft  Absoft Corp Fortran Compiler
      --fcompiler=g95     G95 Fortran Compiler
      --fcompiler=gnu     GNU Fortran 77 compiler
      --fcompiler=ibm     IBM XL Fortran Compiler
      --fcompiler=intel   Intel Fortran Compiler for 32-bit apps
      --fcompiler=nag     NAGWare Fortran 95 Compiler
      --fcompiler=nagfor  NAG Fortran Compiler
      --fcompiler=pg      Portland Group Fortran Compiler
    Compilers not available on this platform:
      --fcompiler=arm       Arm Compiler
      --fcompiler=compaq    Compaq Fortran Compiler
      --fcompiler=flang     Portland Group Fortran LLVM Compiler
      --fcompiler=fujitsu   Fujitsu Fortran Compiler
      --fcompiler=hpux      HP Fortran 90 Compiler
      --fcompiler=intele    Intel Fortran Compiler for Itanium apps
      --fcompiler=intelem   Intel Fortran Compiler for 64-bit apps
      --fcompiler=intelev   Intel Visual Fortran Compiler for Itanium apps
      --fcompiler=intelv    Intel Visual Fortran Compiler for 32-bit apps
      --fcompiler=intelvem  Intel Visual Fortran Compiler for 64-bit apps
      --fcompiler=lahey     Lahey/Fujitsu Fortran 95 Compiler
      --fcompiler=mips      MIPSpro Fortran Compiler
      --fcompiler=none      Fake Fortran compiler
      --fcompiler=nv        NVIDIA HPC SDK
      --fcompiler=pathf95   PathScale Fortran Compiler
      --fcompiler=sun       Sun or Forte Fortran 95 Compiler
      --fcompiler=vast      Pacific-Sierra Research Fortran 90 Compiler
    For compiler details, run 'config_fc --verbose' setup command.```
    
    It's worth to mention that I have `gfortran` installed from `brew`, and an Anaconda environment with many tools, including `pip`.
    opened by viniavila 0
  • import error

    import error

    Python 3.9.9 (main, Dec 1 2021, 16:36:40) [GCC 7.5.0] on linux Type "help", "copyright", "credits" or "license" for more information.

    import qml Traceback (most recent call last): File "", line 1, in File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/init.py", line 37, in from .compound import Compound File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/compound.py", line 30, in from .representations import generate_coulomb_matrix File "/user/kijsdc/.local/lib/python3.9/site-packages/qml/representations.py", line 28, in from .frepresentations import fgenerate_coulomb_matrix ImportError: /user/kijsdc/.local/lib/python3.9/site-packages/qml/frepresentations.cpython-39-x86_64-linux-gnu.so: undefined symbol: dsyev_

    I need your help. please help me...

    opened by hacret 0
  • Installation fails on Windows systems with the error: invalid numeric argument '/Wno-maybe-uninitialized'

    Installation fails on Windows systems with the error: invalid numeric argument '/Wno-maybe-uninitialized'

    When installing qmlcode on a windows system, pip install qml, the installation fails with the error:

     cl : Command line error D8021 : invalid numeric argument '/Wno-maybe-uninitialized'
    error: Command "C:\Program Files (x86)\Microsoft Visual Studio\2019\BuildTools\VC\Tools\MSVC\14.29.30037\bin\HostX86\x64\cl.exe /c /nologo /Ox /W3 /GL /DNDEBUG /MD -Ibuild\src.win-amd64-3.9\build\src.win-amd64-3.9\fchl -IC:\raghav\env_dftb\lib\site-packages\numpy\core\include -IC:\raghav\env_dftb\include -Ic:\users\davinder kumar\appdata\local\programs\python\python39\include -Ic:\users\davinder kumar\appdata\local\programs\python\python39\include -IC:\Program Files (x86)\Microsoft Visual Studio\2019\BuildTools\VC\Tools\MSVC\14.29.30037\include /Tcbuild\src.win-amd64-3.9\fchl\ffchl_modulemodule.c /Fobuild\temp.win-amd64-3.9\Release\build\src.win-amd64-3.9\fchl\ffchl_modulemodule.obj -O3 -fopenmp -m64 -march=native -fPIC -Wno-maybe-uninitialized -Wno-unused-function -Wno-cpp" failed with exit status 2
    

    Is this a problem due to lack of some installed requirement?

    opened by RAraghavarora 0
  • BoB seg faulting on MacOS

    BoB seg faulting on MacOS

    When I run generate_bob, either through the Compound class or just the representation, it is throwing a seg fault. I have installed qml (through pip3) as well as the Fortran compiler (brew install gcc).

    opened by owencqueen 1
  • BoB generation

    BoB generation

    The generation of a BoB representation via $ qml.representations.generate_bob requires the variable "atomtypes" as third argument which is not used by the function.

    opened by TDLemonNovecento 0
Releases(0.3.1)
Simple linear model implementations from scratch.

Hand Crafted Models Simple linear model implementations from scratch. Table of contents Overview Project Structure Getting started Citing this project

Jonathan Sadighian 2 Sep 13, 2021
Real-time stream processing for python

Streamz Streamz helps you build pipelines to manage continuous streams of data. It is simple to use in simple cases, but also supports complex pipelin

Python Streamz 1.1k Dec 28, 2022
fastFM: A Library for Factorization Machines

Citing fastFM The library fastFM is an academic project. The time and resources spent developing fastFM are therefore justified by the number of citat

1k Dec 24, 2022
A library to generate synthetic time series data by easy-to-use factors and generator

timeseries-generator This repository consists of a python packages that generates synthetic time series dataset in a generic way (under /timeseries_ge

Nike Inc. 87 Dec 20, 2022
An open source framework that provides a simple, universal API for building distributed applications. Ray is packaged with RLlib, a scalable reinforcement learning library, and Tune, a scalable hyperparameter tuning library.

Ray provides a simple, universal API for building distributed applications. Ray is packaged with the following libraries for accelerating machine lear

23.3k Dec 31, 2022
Classification based on Fuzzy Logic(C-Means).

CMeans_fuzzy Classification based on Fuzzy Logic(C-Means). Table of Contents About The Project Fuzzy CMeans Algorithm Built With Getting Started Insta

Armin Zolfaghari Daryani 3 Feb 08, 2022
A toolkit for making real world machine learning and data analysis applications in C++

dlib C++ library Dlib is a modern C++ toolkit containing machine learning algorithms and tools for creating complex software in C++ to solve real worl

Davis E. King 11.6k Jan 02, 2023
ThunderSVM: A Fast SVM Library on GPUs and CPUs

What's new We have recently released ThunderGBM, a fast GBDT and Random Forest library on GPUs. add scikit-learn interface, see here Overview The miss

Xtra Computing Group 1.4k Dec 22, 2022
Firebase + Cloudrun + Machine learning

A simple end to end consumer lending decision engine powered by Google Cloud Platform (firebase hosting and cloudrun)

Emmanuel Ogunwede 8 Aug 16, 2022
Intel(R) Extension for Scikit-learn is a seamless way to speed up your Scikit-learn application

Intel(R) Extension for Scikit-learn* Installation | Documentation | Examples | Support | FAQ With Intel(R) Extension for Scikit-learn you can accelera

Intel Corporation 858 Dec 25, 2022
A Python-based application demonstrating various search algorithms, namely Depth-First Search (DFS), Breadth-First Search (BFS), and A* Search (Manhattan Distance Heuristic)

A Python-based application demonstrating various search algorithms, namely Depth-First Search (DFS), Breadth-First Search (BFS), and the A* Search (using the Manhattan Distance Heuristic)

17 Aug 14, 2022
Can a machine learning project be implemented to estimate the salaries of baseball players whose salary information and career statistics for 1986 are shared?

END TO END MACHINE LEARNING PROJECT ON HITTERS DATASET Can a machine learning project be implemented to estimate the salaries of baseball players whos

Pinar Oner 7 Dec 18, 2021
🚪✊Knock Knock: Get notified when your training ends with only two additional lines of code

Knock Knock A small library to get a notification when your training is complete or when it crashes during the process with two additional lines of co

Hugging Face 2.5k Jan 07, 2023
moDel Agnostic Language for Exploration and eXplanation

moDel Agnostic Language for Exploration and eXplanation Overview Unverified black box model is the path to the failure. Opaqueness leads to distrust.

Model Oriented 1.2k Jan 04, 2023
Greykite: A flexible, intuitive and fast forecasting library

The Greykite library provides flexible, intuitive and fast forecasts through its flagship algorithm, Silverkite.

LinkedIn 1.4k Jan 15, 2022
Code Repository for Machine Learning with PyTorch and Scikit-Learn

Code Repository for Machine Learning with PyTorch and Scikit-Learn

Sebastian Raschka 1.4k Jan 03, 2023
Model Agnostic Confidence Estimator (MACEST) - A Python library for calibrating Machine Learning models' confidence scores

Model Agnostic Confidence Estimator (MACEST) - A Python library for calibrating Machine Learning models' confidence scores

Oracle 95 Dec 28, 2022
An open-source library of algorithms to analyse time series in GPU and CPU.

An open-source library of algorithms to analyse time series in GPU and CPU.

Shapelets 216 Dec 30, 2022
Feature-engine is a Python library with multiple transformers to engineer and select features for use in machine learning models.

Feature-engine is a Python library with multiple transformers to engineer and select features for use in machine learning models. Feature-engine's transformers follow scikit-learn's functionality wit

Soledad Galli 33 Dec 27, 2022
Lseng-iseng eksplor Machine Learning dengan menggunakan library Scikit-Learn

Kalo dengar istilah ML, biasanya rada ambigu. Soalnya punya beberapa kepanjangan, seperti Mobile Legend, Makan Lontong, Ma**ng L*v* dan lain-lain. Tapi pada repo ini membahas Machine Learning :)

Alfiyanto Kondolele 1 Apr 06, 2022