Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
Software for molecular simulations and trajectory analysis
Calculate growth rates from microplate reader output
Generation of molecular formulas by high-resolution MS and MS/MS data
Quantum dynamics of chain-like systems using tensor train formats
General purpose de novo molecular design software
Modern library for chemistry file reading and writing
Open-Source Cheminformatics and Machine Learning
A software for generating DNA patterns
A pipeline for quantitative proteomics based upon isobaric tags
A toolkit for developing and deploying protein structure algorithms.
For comparison of simulation and experimental scattering data