Agens diffdock

skill_id: diffdock name: diffdock description: 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. version: 1.0.0 author: K-Dense Inc. license: MIT license tags:

• scientific-agent-skills
• diffdock tools: [] permissions: network: false filesystem: false shell: false agents:
• bio_code_agent enabled: true source: scientific-agent-skills entrypoint: entry.py readme: README.md input_schema: {} output_schema: type: object metadata: upstream_repo: K-Dense-AI/scientific-agent-skills upstream_skill: diffdock upstream_path: scientific-skills/diffdock/SKILL.md upstream_frontmatter: name: diffdock description: 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. license: MIT license metadata: skill-author: K-Dense Inc.