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

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$ npx degit K-Dense-AI/scientific-agent-skills/skills/diffdock .claude/skills/diffdock

From the most-starred rig that ships it: K-Dense-AI/scientific-agent-skills. Same-named skills in different rigs may differ — review before use.

Often used together with

Rigs using diffdock (4)

K-Dense-AI/scientific-agent-skills

Turn any AI agent into an AI Scientist. The #1 Agent Skills library for science, used by 250,000+ scientists worldwide. 177 ready-to-use validated skills plus 100+ scientific databases covering biology, chemistry, medicine, and drug discove

★ 48.1k collection Codex 150 skills 4d ago

Skill Collector 11.8k tok ·

aipoch/open-science

The open-source AI research workbench for scientific research and agent workflows. Local-first, model-agnostic desktop app with extensible skills, MCP tools and connectors, Python/R execution and traceable artifacts for reproducible researc

★ 5,412 project Codex 25 skills 4d ago

Skill Collector 5.2k tok ·

magic3007/dotfiles

🤗 A collection of docker, gdb, git, vim, neovim, zsh, ranger, conda, and tmux configuration files and setup script under various OS.

★ 11 setup Claude CodeCodex 150 skills today

Skill Collector 10.9k tok ·

Yichen-ZJU/claude-for-research

Autonomous research for Claude Code: literature, ideas, unattended experiments, writing and review. 115 skills, two loops.

★ 8 collection Claude CodeCopilot 114 skills 4 agents 6d ago

Skill Collector 7.0k tok ·