Updated 9 months ago
https://github.com/theochem/iodata
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
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