Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
Dynamics of quantum systems, controlled by external fields
Software for molecular simulations and trajectory analysis
Generation of molecular formulas by high-resolution MS and MS/MS data
Differential Evolution Entirely Parallel Method
Web app to monitor Folding@Home
Massively parallel software for quantum chemistry calculations
Large-scale Atomic/Molecular Massively Parallel Simulator
Toxicity prediction for chemical compounds
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.
A tool to search post-translational modifications in a blind mode
The sources and builds history of FDMNES project
Biomolecular electrostatics software
Prediction of proteinfolding in 2D HP model