autodataming's repositories
RDKitBook_zhCN
RDKit中文教程
deepchembook
deepchem实践教程
obabelpdb2mol2
pdb2mol2APP借助openbabel把pdb文件转换成mol2文件的网络服务。
academicpages.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
DeepFrag2Mol
Converting the molecular fragments generated by DeepFrag into complete molecules
dgl-lifesci
Graph neural networks for chemistry and biology
django-registration
An extensible user-registration app for Django.
Generate-novel-molecules-with-LSTM
Novel molecules generation with LSTM
generative-models-for-molecules
Overview of published generative models that produce molecules
hexo-theme-indigo
一个Material Design风格的Hexo主题。 https://imys.net/ 备用:
molstat
This Python command calculates various molecular descriptors for a given set of molecules from an SDF file and plots the molecular weight distribution.
onedrive
#1 Free OneDrive Client for Linux
OpenNMT-py
Open Source Neural Machine Translation in PyTorch
rdkit_summary
rdkit总结与实践
reactivity_predictions_substitution
Platforms to predict reactivity for substitution reactions.
sample_ternary_dihedral
Sampling dihedral for non-crash E2/POI-contacting conformation in E3 ternary complex
sciencenetBlog
科学网博客搬家