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GeoBFN
GeoBFN PublicForked from AlgoMole/GeoBFN
Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"
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OAReactDiff
OAReactDiff PublicForked from chenruduan/OAReactDiff
An object-aware diffusion model for generating chemical reactions
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SurfDock
SurfDock PublicForked from CAODH/SurfDock
SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
Python
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PSICHIC
PSICHIC PublicForked from huankoh/PSICHIC
PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence data
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