PocketVina
importedtherapeutics/pocketvina
GPU-accelerated protein-ligand docking with automated pocket detection, exploring through multi-pocket conditioning. Official Implementation of PocketVina
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- maintained
- Maturity
- deployed
- Organization
- BIMSBbioinfo
- Country
- unknown
- Homepage
- www.arxiv.org/abs/2506.20043
- Repository
- github.com/BIMSBbioinfo/PocketVina
- Documentation
- unknown
- Tags
- autodock-gpu · autodock-vina · drug-discovery · molecular-biology · molecular-docking · p2rank · protein-ligand-binding-affinity · protein-ligand-docking
- Regulatory
- unknown
Top contributors by commit count, from the project’s public repository. Avatars are served by their origin, not stored here. To be removed from this list, open an issue.
Computed from shared tags, weighted so a rare tag counts for more than a common one. These are suggestions, not curated relationships.
- Autodock-Vinaautodock-vina · molecular-biology · molecular-docking · p2rank
Simple pipeline to execute molecular docking experiments
- Bentodrug-discovery · molecular-docking · protein-ligand-docking
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- reproduce-parcosi-moleculardockingautodock-gpu · molecular-docking
Reproducing paper: "Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking"
- PLAPTdrug-discovery · protein-ligand-binding-affinity
Codebase and CLI for PLAPT: A state-of-the-art protein-ligand binding affinity model for drug discovery
- FlexAIDmolecular-docking · protein-ligand-docking
Flexible Artificial Intelligence Docking
- labodockautodock-vina · molecular-docking
LABODOCK: A Colab-Based Molecular Docking Tools
- api.github.com/repos/BIMSBbioinfo/PocketVinaretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2025-11-22, 74 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/35.json→ .entries["pocketvina"]
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