home/categories/computational-chemistry/lamm-mit-scienceclaw-skills-diffdock-skill-md
computational-chemistryresearch

diffdock

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.

lamm-mit
maintainer
lamm-mit
अपडेट किया गया 3/14/2026
स्टार
156
फोर्क
35
quick start

Installation and usage

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.

इंस्टॉलेशन
$ install --globalskills.sh
उपयोग

इंस्टॉल करने के बाद, आप टर्मिनल में यह कमांड चलाकर इस स्किल का उपयोग कर सकते हैं:

skills use diffdock