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Project description

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 pydantic BaseModel, 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.
File I/O methods:
- JSON: support for JSON schema (draft-07).
- YAML: support for YAML 1.1 (PyYAML) and 1.2 (ruamel.yaml).
- MessagePack: support for the msgpack data format.
- HDF5: support for HDF5 file schema and the HDF5-JSON specification.

This version

0.2.0

Oct 1, 2021

v0.1.0

Jul 19, 2021

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