10 projects
python-autojob
tools for automating job creation and management for DFT calculations
cluster-setup
Set up a remote cluster for computational chemistry
eldl
An electrochemical dynamics library.
comp-chem-utils
Utilities for computational chemistry.
pchemdb
A collection of physical chemistry databases.
saturdays
The landing page for the DRA Saturday Sessions
mypy-upgrade
automatic error suppression for mypy
hiperccat
tools for automating job creation and management for DFT calculations
ase-stubs
Stub files for the Atomic Simulation Environment package.
no-name
An example package. Generated with cookiecutter-pylibrary.
