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https://github.com/gnina/gnina
A deep learning framework for molecular docking
https://github.com/gnina/gnina
cheminformatics computational-chemistry convolutional-neural-networks drug-discovery molecular-modeling
Last synced: 4 months ago
JSON representation
A deep learning framework for molecular docking
- Host: GitHub
- URL: https://github.com/gnina/gnina
- Owner: gnina
- License: apache-2.0
- Created: 2015-11-04T15:29:17.000Z (over 8 years ago)
- Default Branch: master
- Last Pushed: 2024-03-16T14:47:41.000Z (4 months ago)
- Last Synced: 2024-03-16T18:11:31.002Z (4 months ago)
- Topics: cheminformatics, computational-chemistry, convolutional-neural-networks, drug-discovery, molecular-modeling
- Language: C++
- Homepage:
- Size: 170 MB
- Stars: 535
- Watchers: 30
- Forks: 138
- Open Issues: 33
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Metadata Files:
- Readme: README.md
- License: LICENSE.APACHE
- Citation: CITATION.cff
Lists
- awesome-structural-bioinformatics - Gnina - deep learning framework for molecular docking -inside deepchem (/dock/pose_generation.py) (Protein - Ligand Docking / Deep Learning Protein Folding)