Quantum dynamics of chain-like systems using tensor train formats
Simulate chemical processes using advanced thermodynamic models
Time-dependent simulation of open and closed quantum systems
X-Ray and Neutron Reflectivity Modeling
A software package for processing and analyzing chemical trajectories
Molecular dynamics by NMR data analysis
ARGO is a program for analysis of electronic structure calculations
Open source software to fit Xray photoelectron spectroscopy (XPS) data
The BMRB library
Theoretical Density, Orbital Relaxation and Exciton analysis
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Biomolecular electrostatics software
Generating cells for electronic structure calculations from CIF files
Modern library for chemistry file reading and writing
Collaborative Computing Project for NMR (CCPN)