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Chemistry — 9 Skills · brycewang-stanford | DecimalAI

scienceby brycewang-stanford

Chemistry — 9 Skills

brycewang-stanford/chemistry-skills

Source brycewang-stanford/Auto-Empirical-Research-Skills ↗License NOASSERTION

9 chemistry skills. Trigger: chemical structure analysis, reaction prediction, molecular modeling. Design: computational chemistry tools and cheminformatics workflows.

SkillScore87Maintained

Automatic

Research pack

Last verified 9/2/2026

What it changes

Passed 17 of 20 test cases with the skill, and 3 of 20 without it.

Without skill13%

With skill87%

Checks it passed that the model alone missed

Identifies pubchem-api-guide as the target directory.
Identifies catalysis-hub-api as the target directory.
Identifies chemeagle-guide as the selected directory.

and 28 more in the full report

17 fixed3 passed either way3 still failing0 broke

Pass-rate lift: +74 pp
Tokens: -52%
Agent turns: 0%
Response time: -56%

Model gemini-3.6-flashMeasured 9/2/2026v120 of 23 cases passed with skill · 20 comparable

Tokens, turns and time describe resource use, not a dollar price.

Use this skill

Save it into your project's skills folder. Claude Code picks it up in its next session.

curl -fsSL --create-dirs -o .claude/skills/brycewang-stanford-chemistry-skills/SKILL.md https://app.decimal.ai/s/brycewang-stanford-chemistry-skills/SKILL.md

Want it pinned and updatable? pip install "decimalai>=0.15", then decimalai skills add brycewang-stanford-chemistry-skills, and start Claude Code with claude --plugin-dir "$(git rev-parse --show-toplevel)/.agents"

1 · One-time — install the CLI (docs ↗)

pip install "decimalai>=0.15"

2 · Get the skill — writes .agents/skills/brycewang-stanford-chemistry-skills/ and pins it in .decimal/skills.lock

decimalai skills add brycewang-stanford-chemistry-skills

No CLI? Get the same file — curl · raw file

curl -fsSL --create-dirs -o .claude/skills/brycewang-stanford-chemistry-skills/SKILL.md https://app.decimal.ai/s/brycewang-stanford-chemistry-skills/SKILL.md

Raw file: /s/brycewang-stanford-chemistry-skills/SKILL.md ↗ · machine-readable summary at /s/brycewang-stanford-chemistry-skills.json ↗

Safety checks: 3 of 3 passed

Code scan CleanIntent PassedContent Clean

See it in action

One of 16 test cases the skill fixed. Same model, same prompt, with and without the skill.

1 of 16

Prompt

I want to query surface adsorption and reaction barrier data using Catalysis Hub GraphQL queries. Select the dedicated guide directory for Catalysis Hub GraphQL integration, state its relative path, and specify which file to read.

What was checked, without and with the skill
Checked	Without skill	With skill
Identifies catalysis-hub-api as the target directory.	Missed	Passed
Directs reading catalysis-hub-api/SKILL.md for API details.	Missed	Passed

case-12 · gemini-3.6-flash · 9/2/2026 · answers are capped and redacted

What's inside

The instructions your model reads when the skill loads.

SKILL.md15 linessingle file

Chemistry — 9 Skills

Select the skill matching the user's need, then read its SKILL.md.

Skill	Description
cactus-cheminformatics-guide	PNNL cheminformatics LLM agent for molecular analysis
catalysis-hub-api	Query computational catalysis reaction data via Catalysis Hub GraphQL
chemeagle-guide	Multi-agent system for chemical literature information extraction
chemgraph-agent-guide	Automate molecular simulations with the ChemGraph agentic framework
computational-chemistry-guide	DFT, molecular simulation, and reaction prediction tools for chemists
molecular-dynamics-guide	Molecular dynamics simulation setup, execution, and trajectory analysis
pubchem-api-guide	Search PubChem for chemical compounds, structures, and bioassay data
retrosynthesis-guide	Retrosynthetic analysis and computational reaction prediction
spectroscopy-analysis-guide	Spectral data analysis for NMR, IR, mass spectrometry, and UV-Vis

Track record

Benchmark

17 / 20

test cases passed, vs 3 / 20 without

Adoption

Users: 0
Times used: 0

Safety and source details

SkillSafety

✓ 3 of 3 passed

Code scan15 of 15 checks clean

0 critical · 0 warning · 0 info — scanner v4 — 8/9/2026

View 15 scanner checks

live_secretremote_code_executionreverse_shelldata_exfiltrationssrf_metadataagent_snoopinganti_refusaldestructive_commandsobfuscated_unicodeunicode_homoglyphopaque_blobsuspicious_urltool_overreachtrigger_abuseprompt_injection_phrasing

IntentSafe

LLM judge · does the skill do what it claims

ContentClean

LLM judge · policy & harmful-content review

Source

Imported

brycewang-stanford / Auto-Empirical-Research-Skills

skills/43-wentorai-research-plugins/skills/domains/chemistry/SKILL.md

View on GitHub ↗

License NOASSERTIONImported 8/9/2026Version v1

More skills from the same source and nearby in the registry, with their headline benchmark lift.

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See it in action

What's inside

Chemistry — 9 Skills

Track record

Benchmark

Adoption

SkillSafety

Source

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