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Chemistry converter
A Python library for reading, writing, and converting various computational chemistry file formats.
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
133 stars
10 watching
46 forks
Language: Python
last commit: 2 months ago
Linked from 1 awesome list
computational-biologycomputational-chemistrycomputational-physicsdata-parsingfile-conversionfile-converterfile-format-converterfile-format-libraryfile-formatsinput-outputjson-schemamolecular-dynamicsmolecular-dynamics-simulationmolecular-electronic-structuremolecular-mechanicsmolecular-simulationquantum-chemistryquantum-chemistry-packagesquantum-chemistry-programstheoretical-chemistry
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