Scikit Learn
zLanqing/codex-claude-academic-skills
Machine learning in Python with scikit-learn. An agent skill from zLanqing/codex-claude-academic-skills.
Umbrella routing for machine-learning interatomic potential workflows.
$ npx skills add JCLiuGroup/AI-Computational-Chemist --skill mlp -a claude-codeProject install by default; add -g for ~/.claude/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist mlp --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/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .claude/skills && cp -r skills-src/tools/mlp .claude/skills/mlp && 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 "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .claude/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlpType 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 JCLiuGroup/AI-Computational-Chemist --skill mlp -a codexProject install goes to .agents/skills/; add -g for ~/.codex/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist mlp --agent codexProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .agents/skills && cp -r skills-src/tools/mlp .agents/skills/mlp && rm -rf skills-srcUse ~/.agents/skills/ instead of .agents/skills for a personal install.
Codex skills documentation · loads skills from .agents/skills/
Install the "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .agents/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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 JCLiuGroup/AI-Computational-Chemist --skill mlp -a cursorProject install goes to .agents/skills/; add -g for ~/.cursor/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist mlp --agent cursorProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .cursor/skills && cp -r skills-src/tools/mlp .cursor/skills/mlp && 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 "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .cursor/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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/JCLiuGroup/AI-Computational-Chemist.git --path tools/mlp--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 JCLiuGroup/AI-Computational-Chemist --skill mlp -a gemini-cliProject install goes to .agents/skills/; add -g for ~/.gemini/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist mlp --agent gemini-cliProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .gemini/skills && cp -r skills-src/tools/mlp .gemini/skills/mlp && 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 "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .gemini/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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 JCLiuGroup/AI-Computational-Chemist mlpInstalls 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 JCLiuGroup/AI-Computational-Chemist --skill mlp -a github-copilotProject install goes to .agents/skills/; add -g for ~/.copilot/skills/.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .github/skills && cp -r skills-src/tools/mlp .github/skills/mlp && 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 "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .github/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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 JCLiuGroup/AI-Computational-Chemist --skill mlp -a opencodeOpenCode documents no install command of its own. Project install goes to .agents/skills/; add -g for ~/.config/opencode/skills/.
$ gh skill install JCLiuGroup/AI-Computational-Chemist mlp --agent opencodeProject scope by default (.agents/skills/); add --scope user for a personal install.
$ git clone --depth 1 https://github.com/JCLiuGroup/AI-Computational-Chemist.git skills-src && mkdir -p .opencode/skills && cp -r skills-src/tools/mlp .opencode/skills/mlp && 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 "mlp" agent skill from https://github.com/JCLiuGroup/AI-Computational-Chemist/tree/main/tools/mlp into .opencode/skills/mlp/ in this project. Copy the whole folder (SKILL.md and every file beside it), keep the folder name "mlp", 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.
mlpUmbrella routing for machine-learning interatomic potential workflows.
Mlp is an agent skill from JCLiuGroup/AI-Computational-Chemist. Umbrella routing for machine-learning interatomic potential workflows. Use for general MLP method choice and cross-program validation; route DeePMD-kit/DPMD operation to deepmd, and keep MACE, NequIP, GPUMD/NEP, LASP, GemNet-OC, EquiformerV2, and other programs in separate tool skills when detailed commands are needed.
Its SKILL.md is about 510 tokens, which your agent loads only when the skill is triggered. The skill folder holds 7 other files, including reference files (for example `examples/README.md`, `references/errors.md` and `references/resources.md`).
It sits in Data & Analytics, covering Machine learning.
Read from SKILL.md and the folder at commit e27b555. It shows what the files ask for, not the result of running them.
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.
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.
No URLs in SKILL.md.
From URLs in SKILL.md, links to its own repository left out.
Names no API keys, tokens, secrets or passwords.
From names ending in _API_KEY, _TOKEN, _SECRET, _KEY or _PASSWORD in SKILL.md.
Mlp loads about 514 tokens when it runs, and up to ~2.1k if it reads all its reference files. Until then it costs about 82 tokens; SKILL.md has 185 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.
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.
Its licence (Custom licence) doesn't allow us to republish the file, so here is its outline and opening line. It has 185 words (~514 tokens).
“Covers MLP-wide routing and legacy generic notes. DeePMD-kit/DPMD now lives in tools/deepmd; future MACE, NequIP, GPUMD/NEP, LASP, GemNet-OC, EquiformerV2 content should live in their own tool skills. MD deployment mechanics live in lammps; DFT label generation in vasp or cp2k…”
SKILL.md and 5 other files (references) in tools/mlp of JCLiuGroup/AI-Computational-Chemist.
Open the folder on GitHubat commit e27b555
We found 2 copies of this SKILL.md (exact, near-identical or edited) in other folders, from 1 other GitHub owner. This page covers the copy in JCLiuGroup/AI-Computational-Chemist, which our catalogue first saw on October 7, 2026.
Mlp 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 |
|---|---|---|---|---|---|---|
| Mlp this skillJCLiuGroup/AI-Computational-Chemist | 145 | 1 repos | ~514 | Automated safety check: Pass | Custom licence | |
| Scikit LearnzLanqing/codex-claude-academic-skills | 4.6k | 17 repos | ~3.9k | Automated safety check: Pass | BSD-3-Clause | |
| Senior Data ScientistRaidriar7170/hermes-skilleval | 125 | 6 repos | ~1.4k | Automated safety check: Pass | MIT | |
| Agentic Kaggle WorkflowFrankS-IntelLab/agentic-kaggle-skill | 188 | — | ~4k | Automated safety check: Pass | MIT | |
| Retention Analysisliangdabiao/claude-data-analysis-ultra-main | 290 | 1 repos | ~1.3k | Automated safety check: Notes | None | |
| Geomlitalo-goncalves/geoML | 109 | — | ~4.2k | Automated safety check: Pass | GPL-3.0 |
zLanqing/codex-claude-academic-skills
Machine learning in Python with scikit-learn. An agent skill from zLanqing/codex-claude-academic-skills.
Raidriar7170/hermes-skilleval
World-class data science skill for statistical modeling, experimentation, causal inference, and advanced analytics.
FrankS-IntelLab/agentic-kaggle-skill
Takes a Kaggle competition from rules and validation design through baselines, ensembling and notebook architecture to a scored submission.
liangdabiao/claude-data-analysis-ultra-main
Analyze user retention and churn using survival analysis, cohort analysis, and machine learning.
italo-goncalves/geoML
Working knowledge of the geoML Python package (github.com/italo-goncalves/geoML): variational Gaussian processes for spatial data, implicit geological modelling, block models, drillhole data…
Aperivue/medsci-skills
A skill your agent uses when building or auditing a radiomics or tabular clinical-ML prediction model with a classical learner (LASSO, SVM, random forest, XGBoost and similar).
JCLiuGroup/AI-Computational-Chemist
Define and maintain machine-readable research project state for multi-stage computational chemistry work.
JCLiuGroup/AI-Computational-Chemist
Entry point and controller for computational chemistry and materials workflows.
JCLiuGroup/AI-Computational-Chemist
Prepare, validate, run, and troubleshoot CP2K calculations for periodic and large molecular systems.
JCLiuGroup/AI-Computational-Chemist
DeePMD-kit and Deep Potential Molecular Dynamics workflows. An agent skill from JCLiuGroup/AI-Computational-Chemist.
JCLiuGroup/AI-Computational-Chemist
Prepare, validate, and troubleshoot Gaussian molecular quantum chemistry jobs.
JCLiuGroup/AI-Computational-Chemist
Prepare, validate, run, resume, troubleshoot, and analyze GROMACS molecular dynamics.
Categories
Umbrella routing for machine-learning interatomic potential workflows. Mlp is an agent skill from JCLiuGroup/AI-Computational-Chemist. Umbrella routing for machine-learning interatomic potential workflows.
Mlp fits situations like: general MLP method choice and cross-program validation; route DeePMD-kit/DPMD operation to deepmd; other programs in separate tool skills when detailed commands are needed.
Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill mlp -a claude-code`. Or copy the skill folder (tools/mlp in JCLiuGroup/AI-Computational-Chemist) into .claude/skills/mlp in your project. Claude Code loads it when a task matches its description.
Run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill mlp -a codex`. Or copy the skill folder (tools/mlp in JCLiuGroup/AI-Computational-Chemist) into .agents/skills/mlp in your project. Codex loads it when a task matches its description.
Cursor, Gemini CLI, GitHub Copilot and OpenCode also load SKILL.md folders. With the skills CLI, run `npx skills add JCLiuGroup/AI-Computational-Chemist --skill mlp -a cursor` (or -a gemini-cli, github-copilot or opencode for the others). To copy it by hand, put the folder in .cursor/skills/mlp, .gemini/skills/mlp, .github/skills/mlp and .opencode/skills/mlp in your project.
SKILL.md names no scripts, command-line tools or credentials: Mlp is instructions for the agent only.
SKILL.md contains no URLs. Any network use would come from the scripts or tools the agent runs. This is read from the text; nothing was executed.
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.
Mlp has a licence file (the repository's licence) that doesn't match a standard licence. Read it on GitHub before reusing the skill.
About 514 tokens (SKILL.md is roughly 2.1k characters). Agents keep only the skill's name and description in context until a task matches; then they load SKILL.md in full. Its references folder adds about 1.6k tokens, read only when the agent opens those files.
Skills that share tags, products or a category with Mlp: Scikit Learn (zLanqing/codex-claude-academic-skills, 4.6k stars), Senior Data Scientist (Raidriar7170/hermes-skilleval, 125 stars), Agentic Kaggle Workflow (FrankS-IntelLab/agentic-kaggle-skill, 188 stars) and Retention Analysis (liangdabiao/claude-data-analysis-ultra-main, 290 stars). The comparison table on this page puts their stars, adoption, token cost, safety result and licence side by side.
JCLiuGroup (a GitHub organization) maintains it in JCLiuGroup/AI-Computational-Chemist, which has 145 GitHub stars. The repository holds 21 skills in this directory. The repository was last updated on September 27, 2026.
Source: JCLiuGroup/AI-Computational-Chemist on GitHub. Facts on this page come from the repository at the commit we read; the author's words are quoted as theirs.