Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
Chemical structure drawing tool
Approximate solvation free energy calculator
ML based QSAR Modelling And Translation of Model to Deployable WebApps
ASALI is an open-source code for chemical engineers
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
A web database for experimental results of research
a Toolset for Molecular Mechanical Force Field Parameterization
Predicting Organic Reactions using Neural Networks.
Generating cells for electronic structure calculations from CIF files
NMR relaxation dispersion spectroscopy analysis software
An intuitive molecular editor and visualization tool
Analyze molecular simulation data
Dynamics of quantum systems, controlled by external fields
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Diffraction related calculations in Fortran 2003