compute-env-setup SKILL.md skillA

compute-env-setup from aipoch/open-science is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.

Install it, pinned
mdr add aipoch/open-science/compute-env-setup@git:20260917.4395768

Pins git:20260917.4395768 in mdr.lock. Pin the fingerprint instead.

Audit grade
A, 17 of 17 checks passed
Kind
SKILL.md skill
Repository
aipoch/open-science
Path
resources/skills/compute-env-setup/SKILL.md
Versions recorded
2
Latest version
git:20260917.4395768, committed Sep 17, 2026
First version recorded
Sep 6, 2026
Size
10,262 bytes
Repository stars
5,279
License
Apache-2.0

Prepare reproducible setup instructions and validate a user-managed named software environment on an Open-Science SSH Compute Host, including direct SSH and Slurm hosts. Use when a remote job needs packages, modules, cache variables, or a repeatable activation that the host does not already provide.

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

# Compute environment setup

Prepare one reproducible environment definition and instructions for one small user-managed host
activation file. Open-Science resolves `submitJob(..., { environment: '<name>' })` by sourcing
`~/.open-science/environments/<name>.sh` before the workload. Existing `~/.openscience/environments/<name>.sh` definitions remain readable in place. Before creating an activation, check both names: update the existing definition at its exact location; if both exist, ask the user which to retain. Never create a second activation just to rename the brand. The file contains activation only; it
does not install packages when a job starts.

The environment, package caches, images, and activation file are user-managed durable resources,
not Open-Science-owned components. This Skill may inspect them and prepare exact setup/removal
commands, but must not execute commands that create, replace, or remove those resources. The user
or host administrator runs those commands outside Open-Science and owns their lifecycle. Do not
interpret the `~/.openscience` path as app ownership.

Use `host.compute` only in `repl_execute` JavaScript. Python and R data kernels do not expose it.
…

Read the whole file at its exact version.

How to install

The exact contents, by fingerprint
mdr add aipoch/open-science/compute-env-setup@sha256:c62770e0c3185eb2

The line at the top of this page pins the label git:20260917.4395768, 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.

Badge

mdr badge

[![mdr](https://markdownregistry.com/badge/art_hclzirxzsfsajb7h.svg)](https://markdownregistry.com/a/art_hclzirxzsfsajb7h)

5 badge image fetches in 30 days. What the badge shows.

Versions

The registry has recorded 2 versions of this file, between Sep 6, 2026 and Sep 17, 2026, about one every 11 days.

versioncommittedcommitsizeaudit
git:20260917.4395768 latest2026-09-17 4395768 10,262 BA view · diff
git:20260906.e1c7e582026-09-06 e1c7e58 9,964 BA view

Audit of the latest version

A  17 of 17 checks passed. Fixed automatic checks with no AI involved, so the same checks give the same answer every run.
  • pass: Frontmatter block present
  • pass: Frontmatter declares a name
  • pass: Frontmatter declares a description
  • pass: Size between 200 bytes and 200 KB (10262 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

GitHub

aipoch/open-science · 5,279 stars · license Apache-2.0 · pushed 2026-10-19 · branch main

API

GET https://markdownregistry.com/api/v1/artifacts/art_hclzirxzsfsajb7h
GET https://markdownregistry.com/api/v1/resolve?ref=aipoch/open-science/compute-env-setup
GET https://markdownregistry.com/api/v1/blob/c62770e0c3185eb22f729f8eb5ea7e48c68ebddb1426ef8717a7a5ca6d631cc7

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.

More from aipoch/open-science

AGENTS.md AGENTS.md file
aipoch/open-science · AGENTS.md
git:20261012.84123ea · audit A · 5,279 stars
alphafold2 SKILL.md skill
aipoch/open-science · resources/skills/alphafold2/SKILL.md · Predict protein structure for monomers and multimers with AlphaFold2 via the ColabFold runner (Mirdita et al. 2022…
git:20260814.c9a70d8 · audit A · 5,279 stars
boltz SKILL.md skill
aipoch/open-science · resources/skills/boltz/SKILL.md · Structure prediction for protein, nucleic-acid, and small-molecule complexes with Boltz-2 (Passaro & Wohlwend et al…
git:20260814.c9a70d8 · audit A · 5,279 stars
borzoi SKILL.md skill
aipoch/open-science · resources/skills/borzoi/SKILL.md · Predict genome-wide functional tracks (RNA-seq, CAGE, DNase, ChIP) from DNA sequence with Borzoi. Use this skill when…
git:20260907.1f786cf · audit A · 5,279 stars
chai1 SKILL.md skill
aipoch/open-science · resources/skills/chai1/SKILL.md · Structure prediction for protein, nucleic-acid, and small-molecule complexes with the Chai-1 foundation model (Chai…
git:20260814.c9a70d8 · audit A · 5,279 stars
customize SKILL.md skill
aipoch/open-science · resources/skills/customize/SKILL.md · Use when the user wants to create or manage a Specialist agent or create, revise, publish, or delete a Skill through…
git:20260821.3c0aa12 · audit A · 5,279 stars
diffdock SKILL.md skill
aipoch/open-science · resources/skills/diffdock/SKILL.md · Predict small-molecule binding poses with DiffDock-L (Corso et al. 2023/2024, github.com/gcorso/DiffDock) — blind…
git:20260814.c9a70d8 · audit A · 5,279 stars
env-management SKILL.md skill
aipoch/open-science · resources/skills/env-management/SKILL.md · Use when a notebook run fails on a missing package (ImportError, ModuleNotFoundError, "there is no package called")…
git:20260824.727a607 · audit B · 5,279 stars
esmfold2 SKILL.md skill
aipoch/open-science · resources/skills/esmfold2/SKILL.md · Biohub ESMFold2 / ESMFold2-Fast all-atom co-folding (Candido et al. 2026, github.com/Biohub/esm). Single-sequence and…
git:20260814.c9a70d8 · audit A · 5,279 stars
evo2 SKILL.md skill
aipoch/open-science · resources/skills/evo2/SKILL.md · Score, embed, and generate DNA sequences with Evo 2, a long-context genomic foundation model. Use this skill when: (1)…
git:20260907.1f786cf · audit A · 5,279 stars
fair-esm2 SKILL.md skill
aipoch/open-science · resources/skills/fair-esm2/SKILL.md · Embed proteins with Meta AI's ESM-2 (`fair-esm` package). Use this skill when: (1) Extracting per-residue or…
git:20260915.c156910 · audit A · 5,279 stars
figure-composer SKILL.md skill
aipoch/open-science · resources/skills/figure-composer/SKILL.md · Compose one publication-grade multi-panel figure. Start from a one-line claim plus immutable data Artifact Version…
git:20260924.ceb82fd · audit A · 5,279 stars

Every file in aipoch/open-science

Other files named compute-env-setup

compute-env-setup SKILL.md skill
xuzhougeng/wisp-science · skills/compute-env-setup/SKILL.md · Set up and validate a reproducible Python or R environment on a Wisp execution context. Use for a selected local, WSL…
git:20260819.121c65a · audit A · 1,049 stars
compute-env-setup SKILL.md skill
yichen-zju/claude-for-research · claude/skills/compute-env-setup/SKILL.md · Set up a reproducible compute environment for research jobs. Use when a task needs Python/R packages, GPU libraries…
git:20261014.9f2a5e0 · audit A · 10 stars
compute-env-setup SKILL.md skill
yichen-zju/claude-for-research · skills/compute-env-setup/SKILL.md · Set up a reproducible compute environment for research jobs. Use when a task needs Python/R packages, GPU libraries…
git:20260930.9b33ccf · audit A · 10 stars
compute-env-setup SKILL.md skill
pengqianhan/ai-human-research-os · research-skills-hub/claude-science-skills/skills/compute-env-setup/SKILL.md · Set up a compute environment on a remote provider so Claude Science jobs can run there. Covers direct SSH/conda hosts…
git:20260715.38d79be · audit A · 3 stars

Browse by kind, by grade A, or by owner.