theochem/iodata

Python library for reading, writing, and converting computational chemistry file formats and generating input files.

GitHub repository with 163 stars and 54 forks.

Language: Python

Topics: quantum-chemistry, quantum-chemistry-programs, quantum-chemistry-packages, computational-chemistry, computational-biology, computational-physics, file-format-converter, data-parsing, json-schema, theoretical-chemistry

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2026-06-05: 163 stars and 54 forks.

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