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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.
134 stars
10 watching
46 forks
Language: Python
last commit: about 2 years agoLinked 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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