Simulate chemical processes using advanced thermodynamic models
Molecular dynamics by NMR data analysis
ASALI is an open-source code for chemical engineers
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Biomolecular electrostatics software
a Toolset for Molecular Mechanical Force Field Parameterization
Collaborative Computing Project for NMR (CCPN)
An intuitive molecular editor and visualization tool
PYthon eXtension for Ab Initio Dynamics
Dynamics of quantum systems, controlled by external fields
Analyze molecular simulation data
Diffraction related calculations in Fortran 2003
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum