Simulate chemical processes using advanced thermodynamic models
X-Ray and Neutron Reflectivity Modeling
Fit X-ray Photoelectron Spectroscopy (XPS), XAS and Raman data
Chemical structure drawing tool
ML based QSAR Modelling And Translation of Model to Deployable WebApps
Smart Thermodynamic Modeling with Graph Neural Networks
Smart Thermodynamic Modeling with Graph Neural Networks
Management and Analyzis of VASP calculations
PySCeS is the Python Simulator of Cellular Systems
Biomolecular electrostatics software
Generating cells for electronic structure calculations from CIF files
Collaborative Computing Project for NMR (CCPN)
An intuitive molecular editor and visualization tool
Dynamics of quantum systems, controlled by external fields
Analyze molecular simulation data
Program for Normalization, Averaging and Editing of In Situ Data Sets
Open-Source Cheminformatics and Machine Learning