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CMSElemental
A python package which provides data models & tools for the Computational Molecular Sciences (CMS). CMSElemental provides:
-
Pydantic models:
- Base models: primarily
ProtoModel
, a subclass of the pydanticBaseModel
, which provides commonly used methods in CMS for data parsing, validation, and serializatio> - Procedure models: for storing generic intput/output data associated with CMS procedures.
- Common models: a miscellaneous collection of frequently used models in CMS.
- Base models: primarily
-
File I/O methods:
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