Virtual Screening software for Computational Drug Discovery
2D molecule editor
kSNP4 does SNP discovery and SNP annotation from whole genomes
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
ShelXle is a Qt GUI for SHELXL
Molecular dynamics by NMR data analysis
Software for molecular simulations and trajectory analysis
Calculate growth rates from microplate reader output
Program for molecular graphics
Dynamics of quantum systems, controlled by external fields
Time-dependent simulation of open and closed quantum systems
Quantum dynamics of chain-like systems using tensor train formats
The BMRB library
Java science library.
Differential Evolution Entirely Parallel Method
Large-scale Atomic/Molecular Massively Parallel Simulator
molecular editor and viewer
Toxicity prediction for chemical compounds