home/categories/scientific-computing/k-dense-ai-claude-scientific-skills-scientific-skills-diffdock-skill-md
scientific-computingresearch
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.
maintainer
K-Dense-AI
Atualizado 1/16/2026
Estrelas
6603
Forks
786
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.
Instalação
$ install --globalskills.sh
Uso
Depois de instalar, você pode usar esta skill executando o seguinte comando no terminal:
skills use diffdock