nvalchemi-data-structures
nvalchemi-data-structures is a Chemistry & materials skill for AI agents, published by NVIDIA in the nvalchemi-toolkit repository on GitHub. Skillspace rates nvalchemi-data-structures D (57/100) and it passed the safety scan; the rating is based on static analysis only.
How to use AtomicData and Batch, the core graph-based data structures for representing atomic systems and batching them for GPU computation. Use when building systems from positions, cells, and atomic numbers, converting from ASE Atoms, batching or unbatching structures, reading per-atom vs per-graph tensors, or debugging shape, dtype, or device errors in model inputs.
- Grade
- D
- Quality
- 57 / 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.
Our review
- Architecture
- 80 / 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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