molecular-electronic-structure

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theochem / iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
quantum-chemistry quantum-chemistry-programs quantum-chemistry-packages computational-chemistry computational-biology computational-physics file-format-converter data-parsing json-schema theoretical-chemistry molecular-mechanics molecular-dynamics molecular-simulation input-output file-formats file-format-library molecular-dynamics-simulation file-conversion file-converter molecular-electronic-structure
Language:Python 134