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https://github.com/theochem/iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
https://github.com/theochem/iodata
computational-biology computational-chemistry computational-physics data-parsing file-conversion file-converter file-format-converter file-format-library file-formats input-output json-schema molecular-dynamics molecular-dynamics-simulation molecular-electronic-structure molecular-mechanics molecular-simulation quantum-chemistry quantum-chemistry-packages quantum-chemistry-programs theoretical-chemistry
Last synced: about 2 hours ago
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Python library for reading, writing, and converting computational chemistry file formats and generating input files.
- Host: GitHub
- URL: https://github.com/theochem/iodata
- Owner: theochem
- License: lgpl-3.0
- Created: 2017-08-13T16:24:39.000Z (over 7 years ago)
- Default Branch: main
- Last Pushed: 2024-05-29T15:45:44.000Z (6 months ago)
- Last Synced: 2024-05-29T19:54:14.263Z (6 months ago)
- Topics: computational-biology, computational-chemistry, computational-physics, data-parsing, file-conversion, file-converter, file-format-converter, file-format-library, file-formats, input-output, json-schema, molecular-dynamics, molecular-dynamics-simulation, molecular-electronic-structure, molecular-mechanics, molecular-simulation, quantum-chemistry, quantum-chemistry-packages, quantum-chemistry-programs, theoretical-chemistry
- Language: Python
- Homepage: https://iodata.readthedocs.io/en/latest/index.html
- Size: 7.98 MB
- Stars: 120
- Watchers: 8
- Forks: 44
- Open Issues: 42
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Metadata Files:
- Readme: README.rst
- Contributing: CONTRIBUTING.rst
- License: LICENSE