Other
Docking@Home
English
molecular-docking
drug-discovery
distributed-computing
autodock
boinc
chemistry
biology
agent
computational-chemistry
bioinformatics
gpu-acceleration
distributed-network
decentralized
Instructions to use OpenPeerAI/DockingAtHOME with libraries, inference providers, notebooks, and local apps. Follow these links to get started.
- Libraries
- Docking@Home
How to use OpenPeerAI/DockingAtHOME with Docking@Home:
# No code snippets available yet for this library. # To use this model, check the repository files and the library's documentation. # Want to help? PRs adding snippets are welcome at: # https://github.com/huggingface/huggingface.js
- Notebooks
- Google Colab
- Kaggle
| REMARK Name = Example Ligand | |
| REMARK 2 active torsions: | |
| REMARK status: ('A' for Active; 'I' for Inactive) | |
| REMARK 1 A between atoms: C_2 and C_3 | |
| REMARK 2 A between atoms: C_3 and O_4 | |
| ROOT | |
| ATOM 1 C UNL 1 0.000 0.000 0.000 0.00 0.00 +0.000 C | |
| ATOM 2 C UNL 1 1.540 0.000 0.000 0.00 0.00 +0.000 C | |
| ENDROOT | |
| BRANCH 2 3 | |
| ATOM 3 C UNL 1 2.078 1.421 0.000 0.00 0.00 +0.000 C | |
| BRANCH 3 4 | |
| ATOM 4 O UNL 1 3.490 1.421 0.000 0.00 0.00 +0.000 OA | |
| ATOM 5 H UNL 1 3.787 2.332 0.000 0.00 0.00 +0.000 HD | |
| ENDBRANCH 3 4 | |
| ENDBRANCH 2 3 | |
| TORSDOF 2 | |