scip-dockingfactory-bundle
importedtherapeutics/scip-dockingfactory-bundle
Docking Factory is a tool to automate molecular docking runs on an HPC cluster using the Dask framework. DockingFactory provides unified way of running molecular docking with different software…
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- Apache-2.0(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- quantori
- Country
- unknown
- Homepage
- unknown
- Documentation
- unknown
- Tags
- dask · docking · drug-discovery · hpc · molecular-docking · python · virtual-screening
- 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.
- scip-sminadocking · drug-discovery · molecular-docking · virtual-screening
Smina is fork of AutoDock Vina that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of…
- Bentodrug-discovery · hpc · molecular-docking
UV-first benchmark for protein-ligand docking with reproducible annotation, pocket similarity, and HPC workflows.
- ML-ensemble-dockingdocking · drug-discovery · virtual-screening
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
- rDockdocking · drug-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)…
- DockM8docking · drug-discovery · molecular-docking
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- spyrmsddocking · drug-discovery · molecular-docking
📐 Symmetry-corrected RMSD in Python
- api.github.com/repos/quantori/scip-dockingfactory-bundleretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2023-01-09, 3 stars, license reported as Apache-2.0. Category and schematic were assigned by keyword heuristics and are unreviewed.
Not yet verified by a human. Correct this record →
/v1/entries/39.json→ .entries["scip-dockingfactory-bundle"]
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