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1. BIMSBbioinfo/PocketVina BIMSBbioinfo/PocketVina Public

   GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina

   C++ 68 9

2. BIMSBbioinfo/flexynesis BIMSBbioinfo/flexynesis Public

   A deep-learning based multi-modal data integration suite that aims to achieve synesis in a flexible manner

   Python 99 28

3. snap-stanford/ogb snap-stanford/ogb Public

   Benchmark datasets, data loaders, and evaluators for graph machine learning

   Python 2.1k 407

4. CamDavidsonPilon/lifelines CamDavidsonPilon/lifelines Public

   Survival analysis in Python

   Python 2.5k 568

5. TransGAN TransGAN Public

   This is a re-implementation of TransGAN: Two Pure Transformers Can Make One Strong GAN (NeurIPS 2021) in PyTorch.

   Jupyter Notebook 116 17