Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
Smart Thermodynamic Modeling with Graph Neural Networks
PySCeS is the Python Simulator of Cellular Systems
Biomolecular electrostatics software
Analyze molecular simulation data
Molecular dynamics with aqueous-organic solvent mixtures
Create lipid-bilayer models of arbitrary geometry.
Chemical Engineering process simulations program
Weighted Implementation of Suboptimal Paths (WISP)
Open source codes related to dissipative particle dynamics
Simple Molecular Interaction Potential Generator in Python