Simulate chemical processes using advanced thermodynamic models
Chemcrow
Fit X-ray Photoelectron Spectroscopy (XPS), XAS and Raman data
X-Ray and Neutron Reflectivity Modeling
Chemical structure drawing tool
ML based QSAR Modelling And Translation of Model to Deployable WebApps
A software package for processing and analyzing chemical trajectories
Smart Thermodynamic Modeling with Graph Neural Networks
Molecular dynamics by NMR data analysis
Approximate solvation free energy calculator
Smart Thermodynamic Modeling with Graph Neural Networks
ASALI is an open-source code for chemical engineers
Management and Analyzis of VASP calculations
Theoretical Density, Orbital Relaxation and Exciton analysis
tkinter wrapper for NASA CEA focused in rocket chemistry explanations
PySCeS is the Python Simulator of Cellular Systems
Nonpolar Surface Area from Continuum Solvation