Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
ShelXle is a Qt GUI for SHELXL
Dynamics of quantum systems, controlled by external fields
Open-source cross-platform spectrometer device driver
Program for the analysis of spectroscopic data, in particular EPR(ESR)
Software for molecular simulations and trajectory analysis
Bash Framework to combine many preprocessing and alignment tools
Differential Evolution Entirely Parallel Method
Web app to monitor Folding@Home
Generation of molecular formulas by high-resolution MS and MS/MS data
Quantum dynamics of chain-like systems using tensor train formats
Massively parallel software for quantum chemistry calculations
Splicing Prediction Pipeline or SPiP
Toxicity prediction for chemical compounds
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.