DiffDock and DiffDock-L molecular docking. Use for protein-small-molecule pose prediction from PDB or sequence plus SMILES/SDF/MOL2, batch docking, virtual screening, and pose-confidence interpretation. Not for binding affinity prediction.
How to install diffdock?
dralkh/seerai/diffdock
$npx -y skills add dralkh/seerai --skill diffdockInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/dralkh/seerai" --skill "dralkh/seerai/diffdock"` and follow the generated skill instructions now. Read its complete output, redirecting it to a temporary file first if necessary. Resolve relative paths from the supporting-files directory it provides.
Use the skills in "https://github.com/dralkh/seerai" that are relevant to the current task. Run `npx skills add "https://github.com/dralkh/seerai"` and select the relevant skills, then follow their instructions.
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