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Achievements

Achievement: Pair ExtraordinaireAchievement: Starstruckx3Achievement: Arctic Code Vault ContributorAchievement: Pull Shark

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  1. jwohlwend/boltz Public

    Official repository for the Boltz-1 biomolecular interaction model

    Python 1.8k 263

  2. DiffDock Public

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

    Python 1.2k 295

  3. torsional-diffusion Public

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

    Python 260 46

  4. particle-guidance Public

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

    Python 67 3

  5. lukecavabarrett/pna Public

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

    Python 348 53

  6. disco-diffdock Public

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

    Python 84 4