Popular repositories Loading

1. chemprop chemprop Public

   Forked from chemprop/chemprop

   Message Passing Neural Networks for Molecule Property Prediction

   Python 1

2. rdkit rdkit Public

   Forked from rdkit/rdkit

   The official sources for the RDKit library

   C++

3. descriptastorus descriptastorus Public

   Forked from bp-kelley/descriptastorus

   Descriptor computation(chemistry) and (optional) storage for machine learning

   Python

4. solubility solubility Public

   Forked from PatWalters/solubility

   An implementation of Delaney's ESOL method using the RDKit

   Python

5. opnbnch.github.io opnbnch.github.io Public

   HTML

6. GMatch4py GMatch4py Public

   Forked from jacquesfize/GMatch4py

   A graph matching library for Python

   Cython