fairchem SKILL.md skillA
fairchem from jkitchin/knowhow is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jkitchin/knowhow/fairchem@git:20261026.1b9386fPins git:20261026.1b9386f in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jkitchin/knowhow
- Path
skills/programming/fairchem/SKILL.md- Versions recorded
- 3
- Latest version
- git:20261026.1b9386f, committed Oct 26, 2026
- First version recorded
- Nov 6, 2025
- Size
- 19,478 bytes
- Repository stars
- 42
- License
- MIT
Expert guidance for Meta's FAIRChem library - machine learning methods for materials science and quantum chemistry using pretrained UMA models with ASE integration for fast, accurate predictions.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# FAIRChem Skill This skill provides expert guidance for using FAIRChem (formerly OCP - Open Catalyst Project), Meta's FAIR Chemistry library of machine learning methods for materials science and quantum chemistry. ## When to Use This Skill Use this skill when: - Using ML potentials for materials and molecular simulations - Running fast geometry optimizations with pretrained models - Performing large-scale MD simulations - Calculating energies and forces without DFT - Working with the UMA (Universal Materials Algebra) models - Needing predictions for catalysis, molecules, crystals, or MOFs - Integrating ML models with ASE workflows - Scaling calculations across multiple GPUs ## Batch scripting vs. interactive steering (fairchem-mcp) This skill covers the **batch** workflow: write a Python script, run it, read the output. That is the right default for reproducible, unattended calculations. For **interactive, agent-steered** simulation, there is a companion MCP server, **`fairchem-mcp`** (https://github.com/jkitchin/fairchem-mcp). It keeps the model resident, runs relaxations/MD in the background, and lets you watch a job and steer it *mid-flight*. Prefer it when: …
Read the whole file at its exact version.
How to install
mdr add jkitchin/knowhow/fairchem@sha256:3d2c6249e7206e0dThe line at the top of this page pins the label git:20261026.1b9386f, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_66kfb22h6wiohgfi)
2 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 3 versions of this file, between Nov 6, 2025 and Oct 26, 2026, about one every 177 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20261026.1b9386f latest | 2026-10-26 | 1b9386f | 19,478 B | A | view · diff |
| git:20260307.3e74b2f | 2026-03-07 | 3e74b2f | 14,455 B | A | view · diff |
| git:20251106.3079452 | 2025-11-06 | 3079452 | 14,397 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (19478 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
jkitchin/knowhow · 42 stars · license MIT · pushed 2026-11-02 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_66kfb22h6wiohgfi GET https://markdownregistry.com/api/v1/resolve?ref=jkitchin/knowhow/fairchem GET https://markdownregistry.com/api/v1/blob/3d2c6249e7206e0d684594308f54d9af4af737da681bf018fed557e69f0a3abc
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.