PDB-CAT
importedtherapeutics/pdb-cat
PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- AGPL-3.0(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- URV-cheminformatics
- Country
- unknown
- Repository
- github.com/URV-cheminformatics/PDB-CAT
- Documentation
- unknown
- Tags
- drug-discovery · mmcif · pdb-files · protein-ligand-complexes · virtual-screening
- Regulatory
- unknown
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- relligdrug-discovery · mmcif
Identifies relevant ligands in the PDB
- ProjectRaccoonpdb-files
Automated construction of atomistic and coarse-grained models in the PDB format for polymer peptide conjugates.
- ML-ensemble-dockingdrug-discovery · virtual-screening
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
- OpenPharmacodrug-discovery · virtual-screening
Open-source protein-based pharmacophore modeling software
- PharmacoNetdrug-discovery · virtual-screening
Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)
- rDockdrug-discovery · virtual-screening
rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS)…
- api.github.com/repos/URV-cheminformatics/PDB-CATretrieved 2026-08-25 · via github-api
Machine-imported from GitHub search. Last push 2026-01-21, 15 stars, license reported as AGPL-3.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/0.json→ .entries["pdb-cat"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.