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
Docking@HOME Configuration Files
This directory contains configuration files for various components of Docking@HOME.
Files
autodock.conf- AutoDock docking parametersboinc_server.conf- BOINC server configurationboinc_client.conf- BOINC client configurationgpu_config.conf- GPU and CUDPP settingsdecentralized.conf- Distributed Network Settingscloud_agents.conf- AI orchestration parameters
Usage
Copy the example configurations and customize for your setup:
cp autodock.conf.example autodock.conf
# Edit autodock.conf with your settings
Security
Never commit configuration files with sensitive information like:
- API keys
- Database passwords
- Private keys
- Authentication tokens
Use environment variables or a separate secrets file (.env) that is excluded from version control.