DiffDock Molecular Docking
K-Dense-AI/scientific-agent-skills
Predicts how small molecules bind to a protein with DiffDock, covering batch docking, pose ranking by confidence and checks on the results; not for binding affinity.
Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection.
Install Sar Analysis
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysis --agent claude-codeProject scope by default; add --scope user for a personal install. Needs GitHub CLI 2.90.0 or later (public preview).
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .claude/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .claude/skills/sar-analysis && rm -rf skills-srcUse ~/.claude/skills/ instead of .claude/skills for a personal install. The folder must contain SKILL.md.
Claude Code skills documentation · loads skills from .claude/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .claude/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.Claude Code copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$skill-installer install https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysisType this inside Codex. $skill-installer <name> installs a curated skill from openai/skills. The installer writes to $CODEX_HOME/skills (default ~/.codex/skills). Restart Codex if the skill does not show up.
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysis --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .agents/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .agents/skills/sar-analysis && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .agents/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.Codex copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysis --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .cursor/skills/sar-analysis && rm -rf skills-srcUse ~/.cursor/skills/ instead of .cursor/skills for a personal install.
Cursor skills documentation · loads skills from .cursor/skills/, .agents/skills/, .claude/skills/, .codex/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .cursor/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.Cursor copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gemini skills install https://github.com/jaechang-hits/SciAgent-Skills.git --path skills/structural-biology-drug-discovery/sar-analysis--scope user (default) or --scope workspace; --path is the subfolder of the repo that holds the skill; --consent skips the security confirmation prompt.
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysis --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .gemini/skills/sar-analysis && rm -rf skills-srcUse ~/.gemini/skills/ instead of .gemini/skills for a personal install, then run /skills reload.
Gemini CLI skills documentation · loads skills from .gemini/skills/, .agents/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .gemini/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.Gemini CLI copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysisInstalls for Copilot at project scope by default; add --scope user for a personal install. Preview a skill first with gh skill preview. Needs GitHub CLI 2.90.0 or later (public preview).
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .github/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .github/skills/sar-analysis && rm -rf skills-srcUse ~/.copilot/skills/ instead of .github/skills for a personal install. Commit .github/skills so cloud agent and code review can use it.
GitHub Copilot skills documentation · loads skills from .github/skills/, .claude/skills/, .agents/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .github/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.GitHub Copilot copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
$ npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install jaechang-hits/SciAgent-Skills sar-analysis --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/jaechang-hits/SciAgent-Skills.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/skills/structural-biology-drug-discovery/sar-analysis .opencode/skills/sar-analysis && rm -rf skills-srcUse ~/.config/opencode/skills/ instead of .opencode/skills for a personal install.
OpenCode skills documentation · loads skills from .opencode/skills/, .claude/skills/, .agents/skills/
Install the "sar-analysis" agent skill from https://github.com/jaechang-hits/SciAgent-Skills/tree/main/skills/structural-biology-drug-discovery/sar-analysis into .opencode/skills/sar-analysis/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "sar-analysis", then confirm the skill loads.OpenCode copies the folder itself, the same result as the manual copy. Check what it changed before you commit it.
Facts
- Skill name
sar-analysis- GitHub stars
- 371
- Used in
- 1 other repo
- Token cost
- ~5.8k tokens
- SKILL.md length
- 2,601 words
- Files
- 1
- Skills in repo
- 169
- Repo updated
- First seen
- Licence
- Custom licence
At a glance
Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection.
- Works in 8 steps: Inspect the dataframe before assuming… → Add explicit hydrogens before MCS.… → Prune constant R-positions. Any… → …
- Tasks that involve Drug discovery and cheminformatics
- SKILL.md covers Metadata, Overview, Key Concepts and Decision Framework, plus 4 more sections
- Instructions only: no scripts, shell commands, URLs or credentials in SKILL.md
What it does
Sar Analysis is an agent skill from jaechang-hits/SciAgent-Skills. Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection.
Its SKILL.md is about 5.8k tokens, which your agent loads only when the skill is triggered. It is a single SKILL.md file with no bundled scripts.
It sits in Research & Science, covering Drug discovery and cheminformatics. It works with RDKit. The repository describes itself as: 197 bioinformatics & life science skills for Claude Code and AI agents — BixBench 92.0% accuracy. RNA-seq, single-cell, drug discovery, proteomics, and more. Powers OmicsHorizon.
When your agent uses it
- Tasks that involve Drug discovery and cheminformatics
Example prompts
- “/sar-analysis”
Requirements
- Python 3
Workflow steps
8 steps, taken from the first numbered list in SKILL.md.
- Inspect the dataframe before assuming column names. Real-world activity tables vary; auto-detect the SMILES, activity, and ID columns from…
- Add explicit hydrogens before MCS. Chem.AddHs lets MCS reason correctly about heavy-atom valence and ring closures; without it…
- Prune constant R-positions. Any R-position whose fragment is identical across every analogue contributes no SAR information; remove that…
- Always align fragments to the parent molecule, not the other way around. Copy coordinates from the parent onto each fragment via the…
- Use a log-scale activity heatmap. Potency typically spans 2–4 orders of magnitude; a linear color scale collapses the interesting low-IC50…
- Justify every SAR claim with a pairwise contrast at the same R-position. Statements like "small electron-withdrawing groups improve…
- Test 3-4 analogues per design hypothesis. A single substitution change can be confounded by experimental noise; multiple analogues at the…
- Render with DrawMoleculeACS1996. ACS1996 styling produces consistent bond lengths, atom labels, and font choices that match…
What it can do on your machine
Read from SKILL.md and the folder at commit 82c862c. It shows what the files ask for, not the result of running them.
Tool permissions
Pre-approves nothing: there is no allowed-tools line, so your agent's usual permission prompts apply.
From allowed-tools in the SKILL.md frontmatter.
Runs code
No scripts in the folder and no shell commands in SKILL.md.
From the folder's file list and the shell code blocks in SKILL.md.
Network
Links to these hosts (documentation or services it may open):
rdkit.orgdoi.orgpubs.acs.org
From URLs in SKILL.md, links to its own repository left out.
Credentials
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Context cost
Sar Analysis loads about 5.8k tokens when it runs. Until then it costs about 44 tokens; SKILL.md has 2,601 words of instructions outside code blocks.
Estimates: characters ÷ 4, the usual rule of thumb; real counts depend on the model's tokenizer. Scripts and assets cost tokens only if the agent reads them.
Safety
Auto-check passed
The automated check found no risky patterns in SKILL.md.
Automated static check — not a guarantee. Review scripts before installing. It scans the text of SKILL.md for risky patterns (piping downloads into a shell, reading credential files, hidden Unicode, destructive commands); files beside SKILL.md are not scanned.
SKILL.md
Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 2,601 words (~5,789 tokens).
“Short Description: Comprehensive guide for performing Structure-Activity Relationship (SAR) analysis using RDKit.”
- name
- sar-analysis
- license
- open
Files
Just SKILL.md in skills/structural-biology-drug-discovery/sar-analysis of jaechang-hits/SciAgent-Skills.
Open the folder on GitHubat commit 82c862c
Used in 1 other repository
We found 1 copy of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in jaechang-hits/SciAgent-Skills, which our catalogue first saw on October 7, 2026.
Compare with similar skills
Sar Analysis next to the 5 skills that share the most tags, products or categories with it. Stars are the repository's; “used in” counts other GitHub owners with a copy.
| Skill | Stars | Used in | Tokens | Auto-check | Licence | Repo updated |
|---|---|---|---|---|---|---|
| Sar Analysis this skilljaechang-hits/SciAgent-Skills | 371 | 1 repos | ~5.8k | Automated safety check: Pass | Custom licence | |
| DiffDock Molecular DockingK-Dense-AI/scientific-agent-skills | 48k | 1 repos | ~3k | Automated safety check: Notes | MIT | |
| Edu Chem Reactionwy51ai/edulab | 1.4k | — | ~1.2k | Automated safety check: Pass | Apache-2.0 | |
| Biopipelineslocbp-uzh/biopipelines | 109 | — | ~2.4k | Automated safety check: Pass | MIT | |
| RDKit Cheminformatics Practicesaiming-lab/AutoResearchClaw | 15k | — | ~708 | Automated safety check: Pass | MIT | |
| Rowanlamm-mit/scienceclaw | 244 | 4 repos | ~3.1k | Automated safety check: Warn | Proprietary |
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Related
Works with
Categories
Questions about Sar Analysis
What does Sar Analysis do?
Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection. Sar Analysis is an agent skill from jaechang-hits/SciAgent-Skills. Structure-activity relationship (SAR) analysis guide for drug discovery including molecular descriptor analysis, scaffold analysis, and activity cliff detection.
When should I use Sar Analysis?
Sar Analysis fits situations like: tasks that involve Drug discovery and cheminformatics.
How do I install Sar Analysis in Claude Code?
Run `npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a claude-code`. Or copy the skill folder (skills/structural-biology-drug-discovery/sar-analysis in jaechang-hits/SciAgent-Skills) into .claude/skills/sar-analysis in your project. Claude Code loads it when a task matches its description.
How do I install Sar Analysis in Codex?
Run `npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a codex`. Or copy the skill folder (skills/structural-biology-drug-discovery/sar-analysis in jaechang-hits/SciAgent-Skills) into .agents/skills/sar-analysis in your project. Codex loads it when a task matches its description.
Can I use Sar Analysis in Cursor, Gemini CLI or GitHub Copilot?
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add jaechang-hits/SciAgent-Skills --skill sar-analysis -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/sar-analysis, .gemini/skills/sar-analysis, .github/skills/sar-analysis and .opencode/skills/sar-analysis in your project.
What does Sar Analysis need to run?
SKILL.md names no scripts, command-line tools or credentials: Sar Analysis is instructions for the agent only. Our summary lists: Python 3.
Does Sar Analysis access the network?
SKILL.md names 3 domains. As links in the text: rdkit.org, doi.org and pubs.acs.org. This is read from the text; nothing was executed.
Is Sar Analysis safe to install?
Our automated static check of SKILL.md found no risky patterns, such as piping downloads into a shell, reading credential files or hidden Unicode. It is not a guarantee. Review the folder before installing.
What licence does Sar Analysis use?
Sar Analysis has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.
How many tokens does Sar Analysis use?
About 5.8k tokens (SKILL.md is roughly 23k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full.
What are the alternatives to Sar Analysis?
Skills that share tags, products or a category with Sar Analysis: DiffDock Molecular Docking (K-Dense-AI/scientific-agent-skills, 48k stars), Edu Chem Reaction (wy51ai/edulab, 1.4k stars), Biopipelines (locbp-uzh/biopipelines, 109 stars) and RDKit Cheminformatics Practices (aiming-lab/AutoResearchClaw, 15k stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
Who maintains Sar Analysis?
jaechang-hits (a GitHub user) maintains it in jaechang-hits/SciAgent-Skills, which has 371 GitHub stars. The repository holds 169 skills in this directory. The repository was last updated on September 29, 2026.
Source: jaechang-hits/SciAgent-Skills on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.