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  1. GeoBFN GeoBFN Public

    Forked from GenSI-THUAIR/GeoBFN

    Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"

    Jupyter Notebook

  2. UniGEM UniGEM Public

    Forked from fengshikun/UniGEM

    Python

  3. OAReactDiff OAReactDiff Public

    Forked from chenruduan/OAReactDiff

    An object-aware diffusion model for generating chemical reactions

    Jupyter Notebook

  4. SurfDock SurfDock Public

    Forked from CAODH/SurfDock

    SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction

    Python

  5. PSICHIC PSICHIC Public

    Forked from huankoh/PSICHIC

    PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data

    Jupyter Notebook

  6. RTX-KG2 RTX-KG2 Public

    Forked from RTXteam/RTX-KG2

    Build system for the RTX-KG2pre biomedical knowledge graph, part of the ARAX reasoning system (https://github.com/RTXTeam/RTX)

    Python