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@AlgoMole

Algorithmic Molecules

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  1. GeoBFN GeoBFN Public

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

    Jupyter Notebook 22 2

  2. MolCRAFT MolCRAFT Public

    Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"

    Jupyter Notebook 22 1

  3. MolFM MolFM Public

    Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"

    Python 12 1

Repositories

Showing 3 of 3 repositories
  • GeoBFN Public

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

    Jupyter Notebook 22 2 1 0 Updated Jun 4, 2024
  • MolCRAFT Public

    Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"

    Jupyter Notebook 22 1 0 0 Updated Jun 3, 2024
  • MolFM Public

    Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"

    Python 12 1 2 0 Updated May 30, 2024

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