conradhuebler

curcuma

Simple small molecular docking and conformation filtering tool.

SupraFit

Non-linear fitting tool for supramolecular titration experiments and kinetics.

python-stuff

python scripts for various task

harbour-tidalplayer

LBFGSpp

A header-only C++ library for L-BFGS and L-BFGS-B algorithms

cpp-d4

C++ port of DFT-D4

CuteChart

Qt 5/QtCharts based plotting framework used in SupraFit.

CxxThreadPool

Pure C++ Thread Pool implementation, inspired by the Qt ThreadPool class and its runnables.

EqnConc

Calculation of equilibrium concentration of a AxBy system

fisher_dist

fisher's distribution for f-test

FlipBooQ

Qt application for automatic removing of white borders from several images simultaneously.

QBit

Simple NMR spectra software, based on Qt and eigen

libpeakpick

C++ library for simple spectra/thermogram analysis.

linuxdeployqt

Makes Linux applications self-contained by copying in the libraries and plugins that the application uses, and optionally generates an AppImage. Can be used for Qt and other applications

openapc-de

Collect and disseminate information on fee-based Open Access publishing

ripser

Ripser: efficient computation of Vietoris–Rips persistence barcodes

setup-mingw

GitHub action to set up MinGW-w64

xtb

Semiempirical Extended Tight-Binding Program Package