8 projects
hmq
Distributed computing.
nablachem
Easy access to research code.
leruli
Use leruli.com from command line and Python code.
contextshare
Simple interface for numpy arrays in multiprocessing contexts.
apdft
APDFT calculates quantumchemical results for many molecules at once.
py-earnest
Estimator for arbitrary correlated non-equilibrated equally spaced time series.
euston
FileIO and geometry functions for analysis of quantum chemical simulations mostly to work with CP2K
finley
Command line analyzer for large molecular dynamics trajectories with DCD support.
