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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 50 4

  2. MolCRAFT MolCRAFT Public

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

    Jupyter Notebook 88 4

  3. MolFM MolFM Public

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

    Python 33 1

Repositories

Showing 4 of 4 repositories
  • ProfileBFN-pro Public
    AlgoMole/ProfileBFN-pro’s past year of commit activity
    Python 0 0 0 0 Updated Apr 24, 2025
  • MolCRAFT Public

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

    AlgoMole/MolCRAFT’s past year of commit activity
    Jupyter Notebook 88 4 0 0 Updated Mar 26, 2025
  • GeoBFN Public

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

    AlgoMole/GeoBFN’s past year of commit activity
    Jupyter Notebook 50 4 2 0 Updated Jun 4, 2024
  • MolFM Public

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

    AlgoMole/MolFM’s past year of commit activity
    Python 33 1 4 0 Updated May 30, 2024

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