diffdock

80 / 100 · Low risk

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

By anubhavg-icpl/vibe (GitHub) · coding · 13 stars · scanned at commit d51e7ac

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. Use when you need help with diffdock.

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 75 places.

skills/sci-diffdock/SKILL.md, line 44python scripts/setup_check.py
skills/sci-diffdock/SKILL.md, line 53git clone https://github.com/gcorso/DiffDock.git
skills/sci-diffdock/SKILL.md, line 61docker pull rbgcsail/diffdock

Show 17 more

skills/sci-diffdock/SKILL.md, line 83python -m inference \
skills/sci-diffdock/SKILL.md, line 92python -m inference \
skills/sci-diffdock/SKILL.md, line 119python scripts/prepare_batch_csv.py --create --output batch_input.csv
skills/sci-diffdock/SKILL.md, line 142python -m inference \
skills/sci-diffdock/SKILL.md, line 154python datasets/esm_embedding_preparation.py \
skills/sci-diffdock/SKILL.md, line 172python scripts/analyze_results.py results/batch/
skills/sci-diffdock/SKILL.md, line 222cp assets/custom_inference_config.yaml my_config.yaml
skills/sci-diffdock/SKILL.md, line 280python -m inference \
skills/sci-diffdock/SKILL.md, line 293for pose in results/*.sdf; do
skills/sci-diffdock/SKILL.md, line 366python app/main.py
.claude/settings.json, line 9"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" pre-bash'",
.claude/settings.json, line 19"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" pre-edit'",
.claude/settings.json, line 31"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" post-edit'",
.claude/settings.json, line 41"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" post-bash'",
.claude/settings.json, line 52"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" route'",
.claude/settings.json, line 63"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/hook-handler.cjs\" session-restore'",
.claude/settings.json, line 68"command": "sh -c 'exec node \"${CLAUDE_PROJECT_DIR:-.}/.claude/helpers/auto-memory-hook.mjs\" import'",

and 55 more places

Downloads and installs other software

The author does not mention this. It runs automatically when the plugin is installed.

Found in 11 places.

skills/sci-diffdock/scripts/setup_check.py, line 123print(f" Install with: pip install fair-esm")
.claude/settings.json, line 166"Bash(npx @claude-flow*)",
.claude/settings.json, line 167"Bash(npx claude-flow*)",

Show 8 more

.mcp.json, line 4"command": "npx",
hooks/cmods/README.md, line 96npx eslint --fix "$FILE" 2>/dev/null
hooks/cmods/post-edit-format.sh, line 29npx prettier --write "$FILE" 2>/dev/null && FORMATTED=true
hooks/cmods/post-edit-format.sh, line 32npx biome format --write "$FILE" 2>/dev/null && FORMATTED=true
hooks/cmods/post-edit-format.sh, line 80npx prettier --write "$FILE" 2>/dev/null && FORMATTED=true
hooks/cmods/post-edit-format.sh, line 86npx prettier --write "$FILE" 2>/dev/null && FORMATTED=true
hooks/cmods/pre-commit-lint.sh, line 38echo "$files" | xargs npx eslint --max-warnings 0 2>/dev/null
hooks/hooks.json, line 106"command": "#!/bin/bash\n# Run TypeScript check after editing TS files\ninput=$(cat)\nfile_path=$(echo \"$input\" | jq -r '.tool_input.file_path // \"\"')\n\nif

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=$(mktemp -d) && git clone --quiet --filter=blob:none --no-checkout 'https://github.com/anubhavg-icpl/vibe' "$d" && git -C "$d" checkout --quiet 'd51e7ac9a34111cd2e63daed83c2198f91570050' -- 'skills/sci-diffdock' && mkdir -p ~/.agents/skills && cp -R "$d"/'skills/sci-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
2026-11-08	`d51e7ac`	80