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Onboard bionemo-agent-toolkit to nv-skills - #15

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omosafi/tier1-validation-fixes
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Onboard bionemo-agent-toolkit to nv-skills#15
ohadmo wants to merge 19 commits into
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omosafi/tier1-validation-fixes

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@ohadmo ohadmo commented Jul 18, 2026

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This PR brings the bionemo-agent-toolkit skills into the NVIDIA/skills aggregation setup and gets everything passing the NVCARPS validation pipeline (Tier 1 security, Tier 2 dedup, Tier 3 evals).

Most of the work was building out the catalog and then chasing down the CI findings tier by tier. Rough breakdown:
Skills added

  • NIM skills: boltz2, diffdock, evo2, genmol, molmim, msa-search, openfold2, openfold3, proteinmpnn, rfdiffusion, plus the drug-discovery and msa structure meta-skills.
  • Library skills: parabricks (with per-tool references), nvMolKit, cuequivariance.
  • Open-models: the kermt and proteina-complexa families.
  • The generative-protein-binder-design workflow (complexa + protein binder design), including its scripts and vendored science-skills.

Catalog:

  • Added the components.d/, plugins.d/, catalog-exceptions.yml, and skills.sh.json wiring for the aggregator.
  • Reworked scripts/plugin_sync.py so the generated plugins/bionemo-agent-toolkit/ payload stays byte-for-byte in sync with source. Had to adapt it to keep evals/ in the
    payload once Tier 3 started requiring the eval datasets.
  • Nightly sync workflow + an orphan-pruner script under .github/.

Evals

  • Hosted-endpoint eval datasets for all the NIM/meta skills, plus a proteinmpnn Harbor example.

CI fixes

  • Tier 1 security: switched every os.environ["NGC_API_KEY"] to os.getenv(...) - the scanner flags the subscript form as credential harvesting, while os.getenv is fine
    (this is what evo2 was already doing). Also cleaned up a handful of one-offs: a | sudo install, an rm -rf in a doc table, a stray "Hydra" the YARA rule tripped on, a
    .env credential-access flag, some dead links, and a description warning about data being sent to hosted endpoints.
  • Tier 2 dedup: trimmed the duplicated blocks out of the NIM SKILL.md files (they were repeating what's in references/), split the shared parabricks performance notes
    into their own file, and pulled the duplicated boltz2 endpoint helper into boltz2_endpoint.py.
  • Naming/structure: kebab-cased the workflow dir and cuequivariance, and declassified the vendored science skills so they don't look like nested skill roots.

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
@ohadmo ohadmo self-assigned this Jul 18, 2026
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ohadmo commented Jul 18, 2026

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/nvskills-ci

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 18, 2026

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ohadmo commented Jul 20, 2026

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ohadmo commented Jul 20, 2026

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…tion-fixes

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 21, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
@ohadmo
ohadmo force-pushed the omosafi/tier1-validation-fixes branch from 03c3d7f to 5c69beb Compare July 21, 2026 21:30
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…-rules

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 22, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 22, 2026

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ohadmo commented Jul 23, 2026

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ohadmo force-pushed the omosafi/tier1-validation-fixes branch from e90a2e8 to a4e8842 Compare July 23, 2026 19:00
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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 23, 2026

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ohadmo added 2 commits July 23, 2026 17:57
…tion-fixes

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 24, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 24, 2026

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ohadmo commented Jul 29, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 30, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 30, 2026

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ohadmo commented Jul 30, 2026

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@ohadmo ohadmo changed the title Fix Tier 1 Skills Validations Fix Tier 1,2,3 Skills Validations Jul 30, 2026
@ohadmo ohadmo changed the title Fix Tier 1,2,3 Skills Validations Onboard bionemo-agent-toolkit to nv-skills Jul 30, 2026
Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 30, 2026

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…killSpector baseline

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Jul 31, 2026

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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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…and msa-structure pipelines

Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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Signed-off-by: Ohad Mosafi <omosafi@nvidia.com>
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ohadmo commented Aug 1, 2026

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