Virtual Screening software for Computational Drug Discovery
Processing and analysis of Small Angle X-ray Scattering (SAXS) data.
- RetroScheme is used for molecule sketching and retrosynthesis
Software for analysis of patch-clamp recordings and other wave data
Dynamics of quantum systems, controlled by external fields
The BMRB library
Time-dependent simulation of open and closed quantum systems
Easy manipulation of sdf molecular data files.
Large-scale Atomic/Molecular Massively Parallel Simulator
molecular editor and viewer
Blast+ the easy way
A tool to search post-translational modifications in a blind mode
Molecular Dynamics Cell Construction
GUI for fitting 3D single-molecule images using the double-helix PSF
TrajLab subproject: Molecular dynamics simulations in MATLAB
TrajLab subproject: Metastability analysis of molecular conformations
Modern library for chemistry file reading and writing
An intuitive molecular editor and visualization tool
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
Prediction of PROTtein Preferred Orientation on a Surface
Data Processing and Analysis for X-ray Spectroscopy and More