btrup

Last released Jun 30, 2025

BtrUp: Btrfs + Borg backup script

qc-selector

Last released Jun 27, 2025

Subset selection with maximum diversity.

stacie

Last released Jun 26, 2025

STable AutoCorrelation Integral Estimator (STACIE)

stepup-reprep

Last released Jun 25, 2025

StepUp RepRep is the StepUp extension for Reproducible Reporting

stepup

Last released Jun 25, 2025

StepUp Core provides the basic framework for the StepUp build tool

optdesign

Last released Jun 10, 2025

Simple Python implementation of linear optimal design algorithms.

qc-procrustes

Last released Jun 5, 2025

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.

qc-iodata

Last released Jun 5, 2025

Python Input and Output Library for Quantum Chemistry

stepup-queue

Last released May 23, 2025

StepUp Queue integrates queued jobs into a StepUp workflow.

TinyFF

Last released Oct 28, 2024

Minimalistic Force Field evaluator.

Parman

Last released Jun 21, 2024

Parman extends Python concurrent.futures to facilitate parallel workflows

RepRepBuild

Last released Mar 6, 2024

Build tool for Reproducible Reporting

BibSane

Last released Jun 27, 2023

Sanitize BibTeX files without going insane

roberto

Last released May 6, 2023

Collection of configurable development workflows

cardboardlint

Last released Aug 26, 2020

Cheap lint solution for PRs.

iodata

Last released Aug 16, 2020

Python Input and Output Library for Quantum Chemistry.

molmod

Last released Jun 16, 2020

MolMod is a collection of molecular modelling tools for python.

tamkin

Last released Sep 12, 2019

TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.

derivcheck

Last released Jun 20, 2019

A robust and very sensitive tester for analytic derivatives.

yaff

Last released Aug 30, 2017

YAFF is yet another force-field code.