Virtual Screening software for Computational Drug Discovery
2D molecule editor
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
Approximate solvation free energy calculator
Dynamics of quantum systems, controlled by external fields
Generation of molecular formulas by high-resolution MS and MS/MS data
Software for molecular simulations and trajectory analysis
Time-dependent simulation of open and closed quantum systems
Program for molecular graphics
Quantum dynamics of chain-like systems using tensor train formats
Web app to monitor Folding@Home
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.
Blast+ the easy way
A tool to search post-translational modifications in a blind mode