Pinned

1. reaction-gcnn reaction-gcnn Public

   Forked from slryou41/reaction-gcnn

   Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions

   Jupyter Notebook 1

2. ord-data ord-data Public

   Forked from open-reaction-database/ord-data

   Official data repository for the Open Reaction Database

3. ord-schema ord-schema Public

   Forked from open-reaction-database/ord-schema

   Schema for the Open Reaction Database

   Python

4. chainer-chemistry chainer-chemistry Public

   Forked from chainer/chainer-chemistry

   Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry

   Python

5. fg-filter fg-filter Public

   Lightweight functional group filter for large sets of organic molecules

   Python 1

6. rdkit rdkit Public

   Forked from rdkit/rdkit

   The official sources for the RDKit library

   C++