gnina-torch
importedtherapeutics/gnina-torch
🔥 PyTorch implementation of GNINA scoring function for molecular docking
Machine-generated from the listed sources and not yet reviewed by a human.
- Category
- Therapeutics
- Subcategory
- unknown
- License
- MIT(osi)
- Status
- active
- Maturity
- deployed
- Organization
- unknown
- Country
- unknown
- Homepage
- gnina-torch.rtfd.io
- Repository
- github.com/RMeli/gnina-torch
- Documentation
- unknown
- Tags
- deep-learning · docking · drug-discovery · gnina · pytorch · pytorch-ignite · scoring-functions
- 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.
- hedgehogdocking · drug-discovery · gnina
Stage-based evaluation pipeline for generative molecular design: filters, retrosynthesis checks, docking, pose validation, reports, CLI/TUI.
- docktdeepscoring-functions
CNN-based protein-ligand scoring function.
- docktgridscoring-functions
Generate customized voxel representations of protein-ligand complexes using GPU.
- ALKYLdocking · drug-discovery
Claude Plugin for CompChem , Drug Discovery & Organic Chemistry reasoning
- CANDOdocking · drug-discovery
Computational Analysis of Novel Drug Opportunities
- CrossDockerdocking · drug-discovery
CrossDocker: a tool for performing cross-docking using Autodock Vina
- api.github.com/repos/RMeli/gnina-torchretrieved 2026-08-05 · via github-api
Machine-imported from GitHub search. Last push 2026-04-21, 76 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/41.json→ .entries["gnina-torch"]
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