Python library for reading, writing, and converting computational chemistry file formats and generating input files.
A Schema for Quantum Chemistry
Parsers and algorithms for computational chemistry logfiles
A Python package for manipulating atomistic data of software in computational science
Python tools for automating routine tasks encountered when running quantum chemistry computations.
Open-source library for analyzing the results produced by ABINIT
Quantum chemistry program executor and IO standardizer (QCSchema).
A suite of parsers designed to make interacting with SERPENT output files simple and flawless
