Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
A software package for processing and analyzing chemical trajectories
Molecular dynamics by NMR data analysis
Approximate solvation free energy calculator
ARGO is a program for analysis of electronic structure calculations
Open source software to fit Xray photoelectron spectroscopy (XPS) data
ASALI is an open-source code for chemical engineers
data analysis and Visualization with matplotlib
Management and Analyzis of VASP calculations
Theoretical Density, Orbital Relaxation and Exciton analysis
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
Nonpolar Surface Area from Continuum Solvation
Biomolecular electrostatics software
A web database for experimental results of research