Virtual Screening software for Computational Drug Discovery
Software for molecular simulations and trajectory analysis
Program for molecular graphics
Time-dependent simulation of open and closed quantum systems
Large-scale Atomic/Molecular Massively Parallel Simulator
molecular editor and viewer
Toxicity prediction for chemical compounds
Blast+ the easy way
Molecular Dynamics Cell Construction
Open-source cross-platform spectrometer device driver
NMR relaxation dispersion spectroscopy analysis software
An intuitive molecular editor and visualization tool
Solves one-electron Schrödinger equation, with SLEPc and PETSc
Former home of the Virtual Cell platform (VCell), see http://vcell.org
Compute protein graphs. Moved to https://github.com/MolBIFFM/PTGLtools
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum