Virtual Screening software for Computational Drug Discovery
High-performance read alignment, quantification and mutation 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
Generation of molecular formulas by high-resolution MS and MS/MS data
Time-dependent simulation of open and closed quantum systems
Approximate solvation free energy calculator
Differential Evolution Entirely Parallel Method
Web app to monitor Folding@Home
Easy manipulation of sdf molecular data files.
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.