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DiffDock
DiffDock PublicForked from gcorso/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Python
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REINVENT4
REINVENT4 PublicForked from MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
Python
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Uni-Mol
Uni-Mol PublicForked from deepmodeling/Uni-Mol
Official Repository for the Uni-Mol Series Methods
Python
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rd_filters
rd_filters PublicForked from PatWalters/rd_filters
A script to run structural alerts using the RDKit and ChEMBL
Python
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plip
plip PublicForked from pharmai/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
Python
Repositories
- plip Public Forked from pharmai/plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
- DiffDock Public Forked from gcorso/DiffDock
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- rd_filters Public Forked from PatWalters/rd_filters
A script to run structural alerts using the RDKit and ChEMBL
- REINVENT4 Public Forked from MolecularAI/REINVENT4
AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.
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