This is the repository of shape matching algorithm Iterative Rotations and Assignments (IRA)

Related tags

Deep LearningIterativeRotationsAssignments
Overview

Description

This is the repository of shape matching algorithm Iterative Rotations and Assignments (IRA), described in the publication [1].

Directory contents

/IRA: Contains the IRA software, see also the README in /IRA.

/benchmark_test: Contains data and other software used for benchmark tests from [1]. See also the README in /benchmark_test folder.

Compile and run

To run IRA, you need to compile it. See README in /IRA subdirectory.

References

[1] Gunde M., Salles N., Hemeryck A., Martin Samos L. IRA: A shape matching approach for recognition and comparison of generic atomic patterns, Journal of Chemical Information and Modeling (2021), DOI: https://doi.org/10.1021/acs.jcim.1c00567, HAL: hal-03406717, arXiv: 2111.00939

You might also like...
Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch
Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch

Perceiver - Pytorch Implementation of Perceiver, General Perception with Iterative Attention, in Pytorch Install $ pip install perceiver-pytorch Usage

Phil Wang 876 Dec 29, 2022
Official Implementation for
Official Implementation for "ReStyle: A Residual-Based StyleGAN Encoder via Iterative Refinement" https://arxiv.org/abs/2104.02699

ReStyle: A Residual-Based StyleGAN Encoder via Iterative Refinement Recently, the power of unconditional image synthesis has significantly advanced th

null 967 Jan 4, 2023
Implementation of Perceiver, General Perception with Iterative Attention in TensorFlow
Implementation of Perceiver, General Perception with Iterative Attention in TensorFlow

Perceiver This Python package implements Perceiver: General Perception with Iterative Attention by Andrew Jaegle in TensorFlow. This model builds on t

Rishit Dagli 84 Oct 15, 2022
PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis
PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis

WaveGrad2 - PyTorch Implementation PyTorch Implementation of Google Brain's WaveGrad 2: Iterative Refinement for Text-to-Speech Synthesis. Status (202

Keon Lee 59 Dec 6, 2022
Pytorch implementation of “Recursive Non-Autoregressive Graph-to-Graph Transformer for Dependency Parsing with Iterative Refinement”

Graph-to-Graph Transformers Self-attention models, such as Transformer, have been hugely successful in a wide range of natural language processing (NL

Idiap Research Institute 40 Aug 14, 2022
StackRec: Efficient Training of Very Deep Sequential Recommender Models by Iterative Stacking

StackRec: Efficient Training of Very Deep Sequential Recommender Models by Iterative Stacking Datasets You can download datasets that have been pre-pr

null 25 May 29, 2022
Code for PackNet: Adding Multiple Tasks to a Single Network by Iterative Pruning

PackNet: https://arxiv.org/abs/1711.05769 Pretrained models are available here: https://uofi.box.com/s/zap2p03tnst9dfisad4u0sfupc0y1fxt Datasets in Py

Arun Mallya 216 Jan 5, 2023
[CVPR 2021] Official PyTorch Implementation for
[CVPR 2021] Official PyTorch Implementation for "Iterative Filter Adaptive Network for Single Image Defocus Deblurring"

IFAN: Iterative Filter Adaptive Network for Single Image Defocus Deblurring Checkout for the demo (GUI/Google Colab)! The GUI version might occasional

Junyong Lee 173 Dec 30, 2022
Unoffical implementation about Image Super-Resolution via Iterative Refinement by Pytorch
Unoffical implementation about Image Super-Resolution via Iterative Refinement by Pytorch

Image Super-Resolution via Iterative Refinement Paper | Project Brief This is a unoffical implementation about Image Super-Resolution via Iterative Re

LiangWei Jiang 2.5k Jan 2, 2023
Comments
  • ira_eq.x doesn't work.

    ira_eq.x doesn't work.

    Hi , @mgoonde .

    I am a student working on a project of Off-lattice Kinetic Monte Carlo. I found your paper and source code with excitement. As you mentioned in the paper(IRA: A shape matching approach for recognition and comparison of generic atomic patterns), in self-Learning KMC, atomic assignment is unknown amd number of atoms unset. Traditional optimal method like SVD and assignment method like Hungarian algorithm cannot work on my system. So I downloaded your code and tried.

    However, there was something wrong after I combined two .xyz system and executed ira_eq.x.

    First, variable hd_fin not defined. To be honest, I don't know what it means. So i changed hd_out = hd_fin to hd_out = hd image

    Second, the way you permute the coordinates is not recognized by my machine, it goes image , whenerver there is a permutation operation. So I changed it from coords1(:,:) = coords1(:,nint(d_o(2,:))) to do i = 1, nat1 coords1(:,i) = coords1_tmp(:,nint(d_o(2,i))) end do So does the array typ1/typ2/coords2

    After doing these rescue measures, I ran your example ./ira_eq.x < temp_ira. temp_ira is combined from benchmark_test/data/lj_clusters/xyz/47.xyz, same structure file in run_single.sh, and the randomized one. The two xyz structures didn't found scattered using ovito. The result goes infinity.

    I don't know what is wrong and I am not that farmiliar with fortran. So I appreciate your help about it. Best wishes.

    opened by FanMover 1
Releases(IRA_v1.5.0)

  • IRA_v1.5.0(May 12, 2022)

    The second release of IRA code. Improvements are made on performance (speed), and in the unification of routines dealing with equal and nonequal number of atoms. An interface to python is also added. For complete list of changes see the version_history file.

    Source code(tar.gz)
    Source code(zip)

  • v1.0.0(Nov 18, 2021)

Owner
MAMMASMIAS Consortium
Multiscale And Multi Model ApproacheS for Materials In Applied Science Consortium
MAMMASMIAS Consortium
GitHub Repository
Fuwa-http - The http client implementation for the fuwa eco-system

Fuwa HTTP The HTTP client implementation for the fuwa eco-system Example import

Fuwa 2 Feb 16, 2022
Space Time Recurrent Memory Network - Pytorch

Space Time Recurrent Memory Network - Pytorch (wip) Implementation of Space Time Recurrent Memory Network, recurrent network competitive with attentio

Phil Wang 50 Nov 07, 2021
Improving XGBoost survival analysis with embeddings and debiased estimators

xgbse: XGBoost Survival Embeddings "There are two cultures in the use of statistical modeling to reach conclusions from data

Loft 242 Dec 30, 2022
Artifacts for paper "MMO: Meta Multi-Objectivization for Software Configuration Tuning"

MMO: Meta Multi-Objectivization for Software Configuration Tuning This repository contains the data and code for the following paper that is currently

0 Nov 17, 2021
Code for "ShineOn: Illuminating Design Choices for Practical Video-based Virtual Clothing Try-on", accepted at WACV 2021 Generation of Human Behavior Workshop.

ShineOn: Illuminating Design Choices for Practical Video-based Virtual Clothing Try-on [ Paper ] [ Project Page ] This repository contains the code fo

Andrew Jong 97 Dec 13, 2022
PyTorch implementation for "Mining Latent Structures with Contrastive Modality Fusion for Multimedia Recommendation"

MIRCO PyTorch implementation for paper: Latent Structures Mining with Contrastive Modality Fusion for Multimedia Recommendation Dependencies Python 3.

Big Data and Multi-modal Computing Group, CRIPAC 9 Dec 08, 2022
“英特尔创新大师杯”深度学习挑战赛 赛道3：CCKS2021中文NLP地址相关性任务

ccks2021-track3 CCKS2021中文NLP地址相关性任务-赛道三-冠军方案 团队：我的加菲鱼- wodejiafeiyu 初赛第二/复赛第一/决赛第一 前言 19年开始，陆陆续续参加了一些比赛，拿到过一些top，比较懒一直都没分享过，这次比较幸运又拿了top1，打算分享下 分类的任务

shaochenjie 131 Dec 31, 2022
CARL provides highly configurable contextual extensions to several well-known RL environments.

CARL (context adaptive RL) provides highly configurable contextual extensions to several well-known RL environments.

AutoML-Freiburg-Hannover 51 Dec 28, 2022
Full Stack Deep Learning Labs

Full Stack Deep Learning Labs Welcome! Project developed during lab sessions of the Full Stack Deep Learning Bootcamp. We will build a handwriting rec

Full Stack Deep Learning 1.2k Dec 31, 2022
Combinatorially Hard Games where the levels are procedurally generated

puzzlegen Implementation of two procedurally simulated environments with gym interfaces. IceSlider: the agent needs to reach and stop on the pink squa

Autonomous Learning Group 3 Jun 26, 2022
Configure SRX interfaces with Scrapli

Configure SRX interfaces with Scrapli Overview This example will show how to configure interfaces on Juniper's SRX firewalls. In addition to the Pytho

Calvin Remsburg 1 Jan 07, 2022
🎁 3,000,000+ Unsplash images made available for research and machine learning

The Unsplash Dataset The Unsplash Dataset is made up of over 250,000+ contributing global photographers and data sourced from hundreds of millions of

Unsplash 2k Jan 03, 2023
PyTorch implementation of Octave Convolution with pre-trained Oct-ResNet and Oct-MobileNet models

octconv.pytorch PyTorch implementation of Octave Convolution in Drop an Octave: Reducing Spatial Redundancy in Convolutional Neural Networks with Octa

Duo Li 273 Dec 18, 2022
Bayesian optimization in PyTorch

BoTorch is a library for Bayesian Optimization built on PyTorch. BoTorch is currently in beta and under active development! Why BoTorch ? BoTorch Prov

2.5k Dec 31, 2022
Precomputed Real-Time Texture Synthesis with Markovian Generative Adversarial Networks

MGANs Training & Testing code (torch), pre-trained models and supplementary materials for "Precomputed Real-Time Texture Synthesis with Markovian Gene

290 Nov 15, 2022
PiRank: Learning to Rank via Differentiable Sorting

PiRank: Learning to Rank via Differentiable Sorting This repository provides a reference implementation for learning PiRank-based models as described

54 Dec 17, 2022
A resource for learning about ML, DL, PyTorch and TensorFlow. Feedback always appreciated :)

A resource for learning about ML, DL, PyTorch and TensorFlow. Feedback always appreciated :)

Aladdin Persson 4.7k Jan 08, 2023
PyTorch implementation for Partially View-aligned Representation Learning with Noise-robust Contrastive Loss (CVPR 2021)

2021-CVPR-MvCLN This repo contains the code and data of the following paper accepted by CVPR 2021 Partially View-aligned Representation Learning with

XLearning Group 33 Nov 01, 2022
WORD: Revisiting Organs Segmentation in the Whole Abdominal Region

WORD: Revisiting Organs Segmentation in the Whole Abdominal Region. This repository provides the codebase and dataset for our work WORD: Revisiting Or

Healthcare Intelligence Laboratory 71 Jan 07, 2023
Example repository for custom C++/CUDA operators for TorchScript

Custom TorchScript Operators Example This repository contains examples for writing, compiling and using custom TorchScript operators. See here for the

106 Dec 14, 2022