Directory / Scientific Agent Skills (K-Dense) / diffdock

diffdock

Predicts protein-small-molecule binding poses with DiffDock and DiffDock-L from PDB or sequence plus SMILES/SDF/MOL2. Covers batch docking, pose triage, confidence interpretation, and validation. Use for molecular docking and virtual-screening pose generation, not binding-affinity prediction.
Description from the SKILL.md front matter.

Install

GitHub CLI v2.90+ (Copilot by default)

gh skill install K-Dense-AI/scientific-agent-skills diffdock

For Claude Code

gh skill install K-Dense-AI/scientific-agent-skills diffdock --agent claude-code

For Codex

gh skill install K-Dense-AI/scientific-agent-skills diffdock --agent codex

Commands follow each host's documentation (Any Agent Skills host (Claude Code, Codex, Cursor, Gemini CLI, Copilot…) docs). gh skill needs GitHub CLI 2.90 or later and is in public preview.

Listed from K-Dense Inc.'s catalog, not reviewed by us. Read the source before installing.

Catalog: Scientific Agent Skills (K-Dense)
Author: K-Dense Inc.
Source code: K-Dense-AI/scientific-agent-skills
License: MIT
Repository stars: 52,795 for K-Dense-AI/scientific-agent-skills (the whole catalog repo)
Version: 1.6
Added to catalog: Not tracked for this source
Last change: 2026-10-19 (last push to the repo)

What it contains

Skills: 1

Similar in Science, research & learning

13c-metabolic-flux (K-Dense science skill)
adaptyv (K-Dense science skill)
aeon (K-Dense science skill)
alphagenome (K-Dense science skill)
analytical-method-validation (K-Dense science skill)
anndata (K-Dense science skill)