8 projects
mendeleev
Pythonic periodic table of elements
zeroeventhub
Broker-less event streaming over HTTP
zefram
Database of zeolite framework characteristics
panthera
Package for calculating thermochemistry with anharmonic corrections
bmatrix
Package with tools for generating internal coordiantes and the corresponding B matrix for molecules and for periodic systems.
srbogrid
Package for calculating space-reduced bond-order grids for diatomics
aseqe
Python API for the Quantum Espresso software
chemtools
Python tools for quantum chemical calculations
