DeGrado Lab Official
Official Organization for Up-to-date DeGrado Lab Software
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PoseBusters-Benchmark
PoseBusters-Benchmark PublicThis repo contains the structure prediction benchmarking dataset from PoseBusters (https://doi.org/10.48550/arXiv.2308.05777).
Python 5
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combs_ligand_database
combs_ligand_database PublicParse a mirror of the PDB for protein-ligand contacts.
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- Salen_2026_pipeline Public
SGE job scheduler configured pipeline LigandMPNN (3x) <--> Rosetta Fast Relax (3x) --> Raptor-X-Single --> Chai-1 --> Analysis
- ligand-vdGs Public
- MOO-d- Public Forked from softnanolab/bagel
Protein Engineering via Exploration of an Energy Landscape
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