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  1. AlgoMole/GeoBFN AlgoMole/GeoBFN Public

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

    Jupyter Notebook 34 2

  2. AlgoMole/MolFM AlgoMole/MolFM Public

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

    Python 21 1

  3. AlgoMole/MolCRAFT AlgoMole/MolCRAFT Public

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

    Jupyter Notebook 67 4