Popular repositories Loading

1. PGMG PGMG Public

   The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.

   Python 56 7

2. DeepPPISP DeepPPISP Public

   Protein-protein interaction sites prediction through combining local and global features with deep neural networks

   Python 53 12

3. DPFunc DPFunc Public

   Python 31 2

4. BACPI BACPI Public

   A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.

   Python 30 16

5. GraphscoreDTA GraphscoreDTA Public

   A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity

   Python 30 9

6. DTIAM DTIAM Public

   A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.

   Python 18 3