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gcorso (Gabriele Corso) · GitHub

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  1. jwohlwend/boltz jwohlwend/boltz Public

    Official repository for the Boltz biomolecular interaction models

    Python 4.2k 885

  2. DiffDock DiffDock Public

    Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

    Python 1.6k 359

  3. torsional-diffusion torsional-diffusion Public

    Implementation of Torsional Diffusion for Molecular Conformer Generation (NeurIPS 2022)

    Python 289 47

  4. particle-guidance particle-guidance Public

    Implementation of Particle Guidance: non-I.I.D. Diverse Sampling with Diffusion Models

    Python 78 3

  5. lukecavabarrett/pna lukecavabarrett/pna Public

    Implementation of Principal Neighbourhood Aggregation for Graph Neural Networks in PyTorch, DGL and PyTorch Geometric

    Python 358 52

  6. disco-diffdock disco-diffdock Public

    Code for the paper DisCo-Diff: Enhancing Continuous Diffusion Models with Discrete Latents, ICML 2024

    Python 93 4

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