molecular-docking
From the author
Molecular docking pipeline using AutoDock Vina for structure-based drug discovery. Triggers on docking, AutoDock Vina, receptor preparation, ligand preparation, PDBQT, grid box, virtual screening, binding affinity, pose prediction, structure-based virtual screening, "redocking RMSD", "Vina score", "docking pose", "prepare receptor", "ligand library screening".
Install
npx skills add awslabs/hcls-agent-skills --skill molecular-docking -a claude-code
Installs to .claude/skills/molecular-docking/ · Each command fetches the skill straight from GitHub with the open skills CLI.
Byte-identical to the scanned commit, with the repository’s licence and a SOURCE.txt.
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