An expansion for RDKit to read all types of files in one line

Overview

RDMolReader

An expansion for RDKit to read all types of files in one line

How to use?

Add this single .py file to your project and import MolFromFile() from this file.

input: molecule file name

output: a list of molecules (always returns a list, even if you have one molecule)

example:

from RDMolReader import MolFromFile
mol_list = MolFromFile('mymol.mol')  # this returns a list with length 1
mols_list = MolFromFile('mymols.sdf')  # this returns a list of molecules from mymols.sdf file
Owner
Ali Khodabandehlou
As a pharmacist who adores programming, I'm trying to integrate digital life to my field....
Ali Khodabandehlou
[CVPR 2020] Transform and Tell: Entity-Aware News Image Captioning

Transform and Tell: Entity-Aware News Image Captioning This repository contains the code to reproduce the results in our CVPR 2020 paper Transform and

Alasdair Tran 85 Dec 13, 2022
Tutorials and implementations for "Self-normalizing networks"

Self-Normalizing Networks Tutorials and implementations for "Self-normalizing networks"(SNNs) as suggested by Klambauer et al. (arXiv pre-print). Vers

Institute of Bioinformatics, Johannes Kepler University Linz 1.6k Jan 07, 2023
An implementation of the AdaOPS (Adaptive Online Packing-based Search), which is an online POMDP Solver used to solve problems defined with the POMDPs.jl generative interface.

AdaOPS An implementation of the AdaOPS (Adaptive Online Packing-guided Search), which is an online POMDP Solver used to solve problems defined with th

9 Oct 05, 2022
PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation

PointNet: Deep Learning on Point Sets for 3D Classification and Segmentation Created by Charles R. Qi, Hao Su, Kaichun Mo, Leonidas J. Guibas from Sta

Charles R. Qi 4k Dec 30, 2022
StyleSpace Analysis: Disentangled Controls for StyleGAN Image Generation

StyleSpace Analysis: Disentangled Controls for StyleGAN Image Generation Demo video: CVPR 2021 Oral: Single Channel Manipulation: Localized or attribu

Zongze Wu 267 Dec 30, 2022
Sleep staging from ECG, assisted with EEG

Sleep_Staging_Knowledge Distillation This codebase implements knowledge distillation approach for ECG based sleep staging assisted by EEG based sleep

2 Dec 12, 2022
Python Assignments for the Deep Learning lectures by Andrew NG on coursera with complete submission for grading capability.

Python Assignments for the Deep Learning lectures by Andrew NG on coursera with complete submission for grading capability.

Utkarsh Agiwal 1 Feb 03, 2022
Code, pre-trained models and saliency results for the paper "Boosting RGB-D Saliency Detection by Leveraging Unlabeled RGB Images".

Boosting RGB-D Saliency Detection by Leveraging Unlabeled RGB This repository is the official implementation of the paper. Our results comming soon in

Xiaoqiang Wang 8 May 22, 2022
Unoffical reMarkable AddOn for Firefox.

reMarkable for Firefox (Download) This repo converts the offical reMarkable Chrome Extension into a Firefox AddOn published here under the name "Unoff

Jelle Schutter 45 Nov 28, 2022
Official code for: A Probabilistic Hard Attention Model For Sequentially Observed Scenes

"A Probabilistic Hard Attention Model For Sequentially Observed Scenes" Authors: Samrudhdhi Rangrej, James Clark Accepted to: BMVC'21 A recurrent atte

5 Nov 19, 2022
CLIPort: What and Where Pathways for Robotic Manipulation

CLIPort CLIPort: What and Where Pathways for Robotic Manipulation Mohit Shridhar, Lucas Manuelli, Dieter Fox CoRL 2021 CLIPort is an end-to-end imitat

246 Dec 11, 2022
Official implementation of the paper Image Generators with Conditionally-Independent Pixel Synthesis https://arxiv.org/abs/2011.13775

CIPS -- Official Pytorch Implementation of the paper Image Generators with Conditionally-Independent Pixel Synthesis Requirements pip install -r requi

Multimodal Lab @ Samsung AI Center Moscow 201 Dec 21, 2022
Official Implementation of PCT

Official Implementation of PCT Prerequisites python == 3.8.5 Please make sure you have the following libraries installed: numpy torch=1.4.0 torchvisi

32 Nov 21, 2022
AEI: Actors-Environment Interaction with Adaptive Attention for Temporal Action Proposals Generation

AEI: Actors-Environment Interaction with Adaptive Attention for Temporal Action Proposals Generation A pytorch-version implementation codes of paper:

11 Dec 13, 2022
「PyTorch Implementation of AnimeGANv2」を用いて、生成した顔画像を元の画像に上書きするデモ

AnimeGANv2-Face-Overlay-Demo PyTorch Implementation of AnimeGANv2を用いて、生成した顔画像を元の画像に上書きするデモです。

KazuhitoTakahashi 21 Oct 18, 2022
SciFive: a text-text transformer model for biomedical literature

SciFive SciFive provided a Text-Text framework for biomedical language and natural language in NLP. Under the T5's framework and desrbibed in the pape

Long Phan 54 Dec 24, 2022
Source code for "OmniPhotos: Casual 360° VR Photography"

OmniPhotos: Casual 360° VR Photography Project Page | Video | Paper | Demo | Data This repository contains the source code for creating and viewing Om

Christian Richardt 144 Dec 30, 2022
Some pre-commit hooks for OpenMMLab projects

pre-commit-hooks Some pre-commit hooks for OpenMMLab projects. Using pre-commit-hooks with pre-commit Add this to your .pre-commit-config.yaml - rep

OpenMMLab 16 Nov 29, 2022
UMich 500-Level Mobile Robotics Course

MOBILE ROBOTICS: METHODS & ALGORITHMS - WINTER 2022 University of Michigan - NA 568/EECS 568/ROB 530 For slides, lecture notes, and example codes, see

393 Dec 29, 2022
Draw like Bob Ross using the power of Neural Networks (With PyTorch)!

Draw like Bob Ross using the power of Neural Networks! (+ Pytorch) Learning Process Visualization Getting started Install dependecies Requires python3

Kendrick Tan 116 Mar 07, 2022