nvalchemi-dynamics-api

nvalchemi-dynamics-api is a Chemistry & materials skill for AI agents, published by NVIDIA in the nvalchemi-toolkit repository on GitHub. Skillspace rates nvalchemi-dynamics-api F (53/100) and it passed the safety scan; the rating is based on static analysis only.

How to configure and run dynamics simulations, compose multi-stage pipelines (FusedStage, DistributedPipeline), use inflight batching, and manage data sinks. Use when writing any simulation script — molecular dynamics (NVE/NVT), structure relaxation or geometry optimization (e.g. FIRE), equation-of-state or adsorption scans — or orchestrating many structures through a batched GPU pipeline.

Grade
F
Quality
53 / 100
Safety
Passed
GitHub stars
117

Unproven: rated by static analysis only, not yet compared head-to-head.

This rating describes the version of the repository we crawled; it may have changed since, so go by its current files.

View source on GitHubNVIDIA/nvalchemi-toolkit

Our review

Architecture
73 / 100
Maturity
Basic: a single SKILL.md
Security scan
No issues found
License
Apache-2.0
Adoption
Adopted by 0 other repositories, in 0 collections

Not checked yet

  • Not judged on the rubric yet (not a contender in its category)
  • No blind task eval yet
  • Scope (portable / vendor / repo-internal) not assessed; only the top of each category is read for scope
  • Sibling files (scripts, references) not fetched; security scan covers SKILL.md only

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