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

   List of Molecular and Material design using Generative AI and Deep Learning

   834 109

2. awesome-AI4MolConformation-MD awesome-AI4MolConformation-MD Public

   List of molecules (small molecules, RNA, peptide, protein, enzymes, antibody, and PPIs) conformations and molecular dynamics (force fields) using generative artificial intelligence and deep learning

   229 21

3. awesome-BioMolGenFold awesome-BioMolGenFold Public

   RNA, mRNA, DNA, Peptide, Protein, Antibody and Complex | Folding

   32 9

4. iPPIGAN iPPIGAN Public

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

   Jupyter Notebook 20 6

5. GENiPPI GENiPPI Public

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

   Jupyter Notebook 15 6

6. AlphaPPImd AlphaPPImd Public

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

   Jupyter Notebook 30 3