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QCElemental

Parse and validate molecular data, convert units and query chemical constants through reusable quantum-chemistry data structures.

Community indexedChemical sciences
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Research record

Project overview

Parse and validate molecular data, convert units and query chemical constants through reusable quantum-chemistry data structures.

Catalog editorial description

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editor · 2026-09-18 — Catalog classification and summary; not maintainer acknowledgement.

Research classification

Chemical sciences

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editor · 2026-09-18 — 量子化学分子表示、数据模型及单位转换,归化学科学。

Research question

Not supplied. The repository description is not treated as a formal research question.

Sources & versions

MolSSI/QCElemental
Reference role
primary
Last successful public check
2026-09-22T08:38:13.268Z
Latest public check attempt
2026-09-22T08:38:13.268Z · ok
GitHub metrics
Stars 201 · checked · latest attempt 2026-09-22T08:38:13.268Z (ok)
Forks 79 · checked · latest attempt 2026-09-22T08:38:13.268Z (ok)
Latest default-branch commit
Unknown
Source activity check
missing · last successful check unknown · latest attempt 2026-09-22T08:38:13.268Z (unavailable)
Source status
Active at last observation
License
BSD-3-Clause
Fixed commit
Not available

Default-branch activity is separate from the fixed reference above. Source terms apply. A fixed commit identifies content; it does not establish scientific validity.

Related research

License unknown

Tool

QCElemental tool

Parse and validate molecular data, convert units and query chemical constants through reusable quantum-chemistry data structures.

Added Change observed by
GitHub · MolSSI/QCElementalStars 201Forks 79
Chemical sciences

Claims & evidence

No maintainer acknowledgement or scientific validation is recorded for this entry. Community indexing only describes its inclusion in this catalog.

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