ML-ensemble-docking
importedtherapeutics/ml-ensemble-docking
Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- dormant
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Repository
- github.com/jRicciL/ML-ensemble-docking
- Documentation
- unknown
- Tags
- docking · drug-discovery · machine-learning · protein-structure · 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.
- 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)…
- scip-dockingfactory-bundledocking · drug-discovery · virtual-screening
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…
- scip-sminadocking · drug-discovery · 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…
- DD_protocoldocking · drug-discovery · virtual-screening
Official repository for the Deep Docking protocol
- boltzdrug-discovery · protein-structure
Official repository for the Boltz biomolecular interaction models
- EquiBinddrug-discovery · protein-structure
EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
- api.github.com/repos/jRicciL/ML-ensemble-dockingretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2022-04-06, 28 stars, license reported as MIT. Category and schematic were assigned by keyword heuristics and are unreviewed.
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/v1/entries/28.json→ .entries["ml-ensemble-docking"]
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