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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++ 67 9

  2. snap-stanford/ogb snap-stanford/ogb Public

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

    Python 2.1k 408

  3. CamDavidsonPilon/lifelines CamDavidsonPilon/lifelines Public

    Survival analysis in Python

    Python 2.5k 567

  4. 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