Pinned

1. papers-for-molecular-design-using-DL papers-for-molecular-design-using-DL Public

   List of molecular design using Generative AI and Deep Learning

   526 77

2. awesome-AI4ProteinConformation-MD awesome-AI4ProteinConformation-MD Public

   List of protein (enzymes and PPIs) conformations and molecular dynamics using generative artificial intelligence and deep learning

   43 4

3. iPPIGAN iPPIGAN Public

   De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors

   Jupyter Notebook 17 5

4. GENiPPI GENiPPI Public

   Interface-aware molecular generative framework for protein-protein interaction modulators

   Jupyter Notebook 9 3

5. AlphaPPImd AlphaPPImd Public

   Exploring the conformational ensembles of protein-protein complexes with transformer-based generative neural networks

   Jupyter Notebook 12 2

6. ImageMol ImageMol Public

   Forked from HongxinXiang/ImageMol

   ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.

   Python 1