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docs: add skill cards for the five complexa-* agent skills - #60

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@trvachov trvachov commented Aug 4, 2026

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Adds a skill-card.md alongside each of the five complexa-* skills, following the NVIDIA skill card format used across the NVIDIA/skills catalog (326/326 skills there carry one).

Why

The NVIDIA/skills sync workflow drops any skill missing skill-card.md, skill.oms.sig, or an eval dataset — the enforcement step removes the skill dir before the PR is created, so non-compliant skills never merge into the catalog. The same requirement is tracked as SRC-11 in bionemo-agent-toolkit's CONTRIBUTING.

State of this repo (dev) against those three artifacts:

Artifact Status
eval dataset not on dev — arrives with #57 (aggregator-compat)
skill-card.md this PR
skill.oms.sig outstanding — needs nvskills-ci wired here

The cards state the eval gap explicitly rather than claiming coverage that isn't on this branch. Once #57 merges, those lines should be updated to point at the landed evals/evals.json.

What's in the cards

Per skill: description, owner, license, use case, requirements (complexa CLI, .env, GPU class and VRAM, folding-backend weights), risks and mitigations, references, output types, evaluation, and ethical considerations.

Risk sections are specific to each skill — in-silico metrics not predicting experimental binding (complexa-design), evaluating designs with the same model family that generated them (complexa-evaluate-pdbs), multiplicative GPU cost from cartesian-product expansion (complexa-sweep), hotspot residue-numbering errors silently redirecting a whole campaign (complexa-target), and third-party checkpoint licensing (complexa-setup).

complexa-design and complexa-sweep carry explicit biosecurity language, since those skills generate novel protein sequences at scale: users are responsible for screening designed sequences before synthesis and for compliance with biosafety review and export-control obligations.

Evaluation results are marked pending, not fabricated. NVSkills-Eval has not been run against these skills.

Second commit: a .gitignore fix worth looking at

.gitignore:95 ignores .claude/ wholesale, but the skills under .claude/skills/ are tracked and are vendored downstream. Because a bare .claude/ excludes the directory, git never descends into it and no ! negation can re-include anything below it — so every new file added to a skill dir is silently ignored unless the author remembers git add -f. I hit this writing these cards.

That means an evals/ dir or a reference file added to a Complexa skill can be quietly lost. The fix switches to .claude/* plus !.claude/skills/. Verified both directions: a new file under .claude/skills/ is no longer ignored, and other .claude/ content still is.

It's a separate commit — drop it if the wholesale ignore is deliberate.

Context

bionemo-agent-toolkit vendors these five skills via components.d/proteina-complexa.yml and rsyncs with --delete, so a card committed there is wiped on the next nightly sync. This repo is the source of truth. The catalog carries an interim copy of these same cards in a compliance.d/ overlay, which is retired automatically once this merges.

Targeting dev rather than aggregator-compat since that branch is deleted when #57 merges.

Please correct anything I got wrong about the pipelines or their risks — I wrote these from the SKILL.md files and repo layout, not from running the design pipeline.

🤖 Generated with Claude Code

trvachov and others added 2 commits August 4, 2026 15:49
Adds a skill-card.md alongside each skill, following the NVIDIA skill card
format used across the NVIDIA/skills catalog (description, owner, license, use
case, requirements, risks and mitigations, references, outputs, evaluation, and
ethical considerations). The design and sweep cards carry explicit biosecurity
language, since those skills generate novel protein sequences.

Required for catalog admission: the NVIDIA/skills sync drops any skill missing
skill-card.md, skill.oms.sig, or an eval dataset.

Two gaps are stated in the cards rather than papered over:
  - evals/ is not on dev; it arrives with PR #57 (branch aggregator-compat)
  - skill.oms.sig requires nvskills-ci wired in this repo

Evaluation results are marked pending rather than fabricated — NVSkills-Eval has
not yet been run against these skills.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Signed-off-by: Timur Rvachov <trvachov@nvidia.com>
.gitignore ignores .claude/ wholesale, but the agent skills under
.claude/skills/ are tracked and are vendored downstream by the NVIDIA/skills
and bionemo-agent-toolkit catalogs. Because a bare `.claude/` excludes the
directory itself, git never descends into it and no `!` negation can re-include
anything below it — so every NEW file added to a skill dir (a card, an evals/
dir, a reference) is silently ignored unless the author remembers `git add -f`.

Switch to `.claude/*` plus `!.claude/skills/` so the published skills tree is
tracked normally while the rest of .claude/ stays ignored. Verified both ways:
a new file under .claude/skills/ is no longer ignored, and .claude/<other> still is.

Separable from the cards commit; drop this one if the wholesale ignore is intentional.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Signed-off-by: Timur Rvachov <trvachov@nvidia.com>
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