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.
- docktdeepscoring-functions
CNN-based protein-ligand scoring function.
- docktgridscoring-functions
Generate customized voxel representations of protein-ligand complexes using GPU.
- CANDOdocking · drug-discovery
Computational Analysis of Novel Drug Opportunities
- DockM8docking · drug-discovery
All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.
- drug-computingdocking · drug-discovery
Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by David Mobley.
- equidock_publicdocking · drug-discovery
EquiDock: geometric deep learning for fast rigid 3D protein-protein docking
- 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"]
Entries are sharded 64 ways by a stable hash of the id, so a consumer can find any record without an index.