9 projects
qc-iodata
Python Input and Output Library for Quantum Chemistry
qc-procrustes
Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
qc-selector
Subset selection with maximum diversity.
roberto
Collection of configurable development workflows
cardboardlint
Cheap lint solution for PRs.
iodata
Python Input and Output Library for Quantum Chemistry.
derivcheck
A robust and very sensitive tester for analytic derivatives.
gbasis
pycydemo
Demo python+cython project