iodata
by theochem
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
AI summary
Chemistry converter
A Python library for reading, writing, and converting various computational chemistry file formats.
- stars
- 134
- forks
- 46
- watching
- 10
- awesome list
- 1
- #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
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