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Algorithmic Molecules

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5 repositories

ProfileBFN-pro
Public
Python
•0•4•0•0•Updated May 14, 2025May 14, 2025
AlgoMole.github.io
Public
Homepage for GenSI
TeX
•0•0•0•0•Updated Apr 29, 2025Apr 29, 2025
MolCRAFT
Public
Implementation for ICML 2024 paper "MolCRAFT: Structure-Based Drug Design in Continuous Parameter Space"
drug-discovery drug-design 3d-molecules-models molecule-generation bayesian-flow-networks
Jupyter Notebook
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Other
•4•88•1•0•Updated Mar 26, 2025Mar 26, 2025
GeoBFN
Public
Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
3d-molecules-models geometric-deep-learning deep-generative-model molecule-generation bayesian-flow-networks
Jupyter Notebook
•4•51•2•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"
3d-molecules-models geometric-deep-learning deep-generative-model equivariance molecule-generation flow-matching
Python
•1•36•4•0•Updated May 30, 2024May 30, 2024

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