Pinned

1. CSBG-LSU/BionoiNet CSBG-LSU/BionoiNet Public

   Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.

   Python 19 13

2. Pocket2Drug Pocket2Drug Public

   Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.

   Python 20 8

3. Molecule-RNN Molecule-RNN Public

   A recurrent neural network (RNN) that generates drug-like molecules for drug discovery.

   Python 9 3

4. Graphsite Graphsite Public

   Generate graph representations of protein binding sites.

   Python 9 2

5. Graphsite-classifier Graphsite-classifier Public

   Ligand-binding site classification with deep graph neural networks.

   Python 9 5