Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.
How to install diffdock?
synthetic-sciences/openscience/diffdock
$npx -y skills add synthetic-sciences/openscience --skill diffdockInstalls into the current project.
›Prefer a prompt? Paste this to your agent
Run `npx skills use "https://github.com/synthetic-sciences/openscience" --skill "synthetic-sciences/openscience/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/synthetic-sciences/openscience" that are relevant to the current task. Run `npx skills add "https://github.com/synthetic-sciences/openscience"` and select the relevant skills, then follow their instructions.
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