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@AlgoMole

Algorithmic Molecules

A robust and easy-to-understand framework for molecule generation, target to find a balance between modularization and flattening.

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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 53 4

  2. MolCRAFT MolCRAFT Public

    Official repository for MolCRAFT series

    Jupyter Notebook 98 8

  3. MolFM MolFM Public

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

    Python 36 1

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