diffdock

95 / 100 · Low risk

Fine to try. Some of what it can do is expected: a coding skill usually runs build and test commands.

By Microck/ordinary-claude-skills (GitHub) · coding · 410 stars · scanned at commit 1056d29

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.

Works with any agent that supports SKILL.md skills.

What this skill can do

Runs commands on your computer

The author does not mention this. Expected for a coding skill.

Found in 13 places.

skills_all/diffdock/SKILL.md, line 41python scripts/setup_check.py
skills_all/diffdock/SKILL.md, line 50git clone https://github.com/gcorso/DiffDock.git
skills_all/diffdock/SKILL.md, line 58docker pull rbgcsail/diffdock

Show 10 more

skills_all/diffdock/SKILL.md, line 80python -m inference \
skills_all/diffdock/SKILL.md, line 89python -m inference \
skills_all/diffdock/SKILL.md, line 116python scripts/prepare_batch_csv.py --create --output batch_input.csv
skills_all/diffdock/SKILL.md, line 139python -m inference \
skills_all/diffdock/SKILL.md, line 151python datasets/esm_embedding_preparation.py \
skills_all/diffdock/SKILL.md, line 169python scripts/analyze_results.py results/batch/
skills_all/diffdock/SKILL.md, line 219cp assets/custom_inference_config.yaml my_config.yaml
skills_all/diffdock/SKILL.md, line 277python -m inference \
skills_all/diffdock/SKILL.md, line 290for pose in results/*.sdf; do
skills_all/diffdock/SKILL.md, line 363python app/main.py

Other copies in this repository

Microck/ordinary-claude-skills has 1 more folder with a skill named diffdock. This page shows the lowest-scoring copy.

skills_categorized/scientific-computing/claude-scientific-skills/scientific-skills/diffdock 95/100 · Low risk

Install

Paste this into your terminal. It downloads exactly the version we scanned, not whatever is newest.

if [ -e ~/.agents/skills/'diffdock' ] || [ -L ~/.agents/skills/'diffdock' ]; then echo 'A skill folder named diffdock already exists — not replacing it' >&2; false; else d=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/Microck/ordinary-claude-skills' "$d" && git -C "$d" checkout --quiet '1056d293d41a3a3b86518d8ab6ec0a79091ccedb' -- 'skills_all/diffdock' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills_all/diffdock' ~/.agents/skills/'diffdock' && rm -rf "$d"; fi

Codex reads ~/.agents/skills directly. For Claude Code, Cursor, Copilot, Gemini CLI, Antigravity or OpenCode, also link it. For Claude Code: ln -s ~/.agents/skills/'diffdock' ~/.claude/skills/'diffdock' (other agents: ~/.cursor/skills, ~/.copilot/skills, ~/.gemini/skills, ~/.gemini/config/skills, ~/.config/opencode/skills). Or install through the finder skill, which does both.

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Score history

Date	Version	Score
2026-11-07	`1056d29`	100

Also found in

Identical copies of this skill exist at:

Activer007/ordinary-claude-skills/skills_all/diffdock
Activer007/ordinary-claude-skills/skills_categorized/bioinformatics/diffdock
Activer007/ordinary-claude-skills/skills_categorized/computational-chemistry/diffdock
Activer007/ordinary-claude-skills/skills_categorized/scientific-computing/diffdock
Microck/ordinary-claude-skills/skills_categorized/bioinformatics/diffdock
Microck/ordinary-claude-skills/skills_categorized/computational-chemistry/diffdock
Microck/ordinary-claude-skills/skills_categorized/scientific-computing/diffdock