SCINE Add ML Model
claudeIntegrate a new ML model or interatomic potential into scine_parrot.
2 skills · 8 agents
3
claude
SCINE Add QM Calculator
Add an external QM program as a SCINE calculator — C++ scine_utilities and Python scine_puffin.
/
Plugin scine-add-calculator from marketplace scine-agent-skills in rangsimanketkaew/scine-agent-skills. Commands read from the repo's manifest — 1 month ago.
What it installs
Skills (2)
scine-add-calculatorAdd a new quantum chemistry (QM) software or tool as a SCINE calculator. Use when implementing a new external QM code (e.g., ORCA, Turbomole, Gaussian, CP2K, MRCC, or any custom QM tool) as a calculator in SCINE Utils (C++) and/or Puffin (Python). Covers the full workflow: C++ class hierarchy, setti
scine-add-ml-modelAdd a new machine learning (ML) model as a calculator in the SCINE Parrot module. Use when integrating a new ML potential or interatomic potential (e.g., MACE, ANI, M3GNet, LMLP, NequIP, or any custom ML model) into scine_parrot. Covers creating the calculator class, registering in the calculator re
Subagents (8)
scine-add-calculator-only-puffinAdd a new quantum chemistry (QM) software as a job in Puffin (Python) only — without touching the Utils C++ side. Use when the Core::Calculator already exists in scine_utilities and you only need the Puffin program class, config registration, and job class. Trigger phrases: add calculator puffin, pu
scine-add-calculator-only-utilsAdd a new quantum chemistry (QM) software as a calculator in SCINE Utils (C++) only — without the Puffin Python side. Use when you only need the C++ Core::Calculator implementation: class hierarchy, settings, input file creator, output parser, helper, module registration, and CMake. Trigger phrases:
scine-add-calculatorAdd a new quantum chemistry (QM) software as a SCINE calculator — both Utils (C++) and Puffin (Python). Use when implementing a new external QM code end-to-end: C++ calculator class, settings, file parsers, module registration in scine_utilities, then Puffin program class and job class in scine_puff
scine-add-ml-modelAdd a new machine learning (ML) model or ML potential as a calculator in the SCINE Parrot module (scine_parrot). Use when integrating a new ML interatomic potential (e.g., MACE, ANI, M3GNet, NequIP, LMLP, or any custom ML model) into scine_parrot. Covers creating the calculator class, registering in
scine-test-calculator-puffinRun Python tests for a SCINE Puffin calculator job implementation in scine_puffin. Use after adding or modifying a Puffin program class or job class to validate the Python implementation. Trigger phrases: test puffin calculator, run puffin tests, test puffin job, pytest calculator, validate puffin i
scine-test-calculator-utilsRun C++ unit tests for a SCINE Utils calculator implementation in scine_utilities. Use after adding or modifying a calculator in the Utils ExternalQC layer to validate the C++ implementation. Trigger phrases: test utils calculator, run utils tests, test C++ calculator, ctest calculator, validate uti
scine-test-calculatorRun tests for a SCINE calculator implementation — both the Utils C++ unit tests and the Puffin Python tests. Use after adding or modifying a calculator in scine_utilities and/or scine_puffin to validate correctness. Trigger phrases: test calculator, run calculator tests, verify calculator, check cal
scine-test-ml-modelRun tests for a SCINE Parrot ML model calculator implementation. Use after adding or modifying an ML model calculator in scine_parrot to validate correctness and check for regressions. Trigger phrases: test ML model parrot, run parrot tests, test parrot calculator, pytest parrot, validate ML model,
More from rangsimanketkaew/scine-agent-skills
All 2 plugins →Similar plugins
headroom-skill
claudeSkill: add headroom-ai compress() to a Python or TypeScript app to cut LLM input tokens (tool outputs, logs, JSON, chat history). No API key.
1 skill
headroomlabs-ai/headroom 79,508
ppt-master
claudeGenerate natively editable PPTX from PDF / DOCX / URL / Markdown — real DrawingML shapes, text boxes, charts, and animations. Note: run `pip install -r requirements.txt` inside the installed plugin directory for the Python post-processing scripts to work.
1 skill
hugohe3/ppt-master 76,375
Install the "AAS Python Development" workflow plugin from Agentic Awesome Skills.
13 skills
sickn33/agentic-awesome-skills 49,620
dominodatalab
claudeFull Domino Data Lab platform support — workspaces, jobs, model deployment, experiment tracking, GenAI tracing, Spark/Ray/Dask, and app deployment for data science teams
26 skills · 4 commands · 3 agents · 1 MCP server
anthropics/claude-plugins-official 47,076
python-development
claudecodexModern Python development with Python 3.12+, Django, FastAPI, async patterns, and production best practices
16 skills · 1 command · 3 agents
wshobson/agents 42,461
Bright Data
claudeWeb scraping, Google search, structured data extraction, and MCP server integration powered by Bright Data. Includes 7 skills: scrape any webpage as markdown (with bot detection/CAPTCHA bypass), search Google with structured JSON results, extract data from 40+ websites (Amazon, LinkedIn, Instagram, TikTok, YouTube, and more), orchestrate Bright Data's 60+ MCP tools, built-in best practices for Web Unlocker, SERP API, Web Scraper API, and Browser API, Python SDK best practices for the brightda...
21 skills
anthropics/knowledge-work-plugins 35,601
Maintain SCINE Add QM Calculator?
This page updates itself from your repo. Add the badge to your README, or get it Featured to pin it above the organic results with a followed link to your site.
claude & codex plugins2 plugins