Virtual Screening software for Computational Drug Discovery
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
Molecular dynamics by NMR data analysis
Software for molecular simulations and trajectory analysis
Calculate growth rates from microplate reader output
Quantum dynamics of chain-like systems using tensor train formats
General purpose de novo molecular design software
An Open Source "product catalogue" that is customizable and versatile.
Exploration of the removal of count variable transcripts.
Biomolecular electrostatics software
biOP [bio~ObjectPascal/bio~Delphi] bioinformatics libraries
Exploring chemical similarity
Modern library for chemistry file reading and writing
Collaborative Computing Project for NMR (CCPN)
NMR relaxation dispersion spectroscopy analysis software