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@AlgoMole Algorithmic Molecules

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    3 repositories

    • MolCRAFT

      Public
      Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
      Jupyter Notebook
      •
      Other
      •3•80•2•0•Updated Sep 24, 2024Sep 24, 2024

    • GeoBFN

      Public
      Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
      Jupyter Notebook
      •2•40•3•0•Updated Jun 4, 2024Jun 4, 2024

    • MolFM

      Public
      Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"
      Python
      •1•30•4•0•Updated May 30, 2024May 30, 2024