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
Theoretical Density, Orbital Relaxation and Exciton analysis
Approximate solvation free energy calculator
ASALI is an open-source code for chemical engineers
Management and Analyzis of VASP calculations
tkinter wrapper for NASA CEA focused in rocket chemistry explanations
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
a Toolset for Molecular Mechanical Force Field Parameterization