Chemcrow
An intuitive molecular editor and visualization tool
Simulate chemical processes using advanced thermodynamic models
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
X-Ray and Neutron Reflectivity Modeling
ML based QSAR Modelling And Translation of Model to Deployable WebApps
Chemical structure drawing tool
ASALI is an open-source code for chemical engineers
Molecular dynamics by NMR data analysis
A software package for processing and analyzing chemical trajectories
Smart Thermodynamic Modeling with Graph Neural Networks
Smart Thermodynamic Modeling with Graph Neural Networks
Chatbot with GNNPCSAFT
ARGO is a program for analysis of electronic structure calculations
data analysis and Visualization with matplotlib
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