Cyclic Voltammetry Simulation Program for Research and Education
Simulate chemical processes using advanced thermodynamic models
An intuitive molecular editor and visualization tool
ShelXle is a Qt GUI for SHELXL
An interactive viewer for three-dimensional chemical structures.
X-Ray and Neutron Reflectivity Modeling
XDrawChem is an application for chemistry drawing and analysis.
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
Chemical structure drawing tool
Electronic Laboratory Notebook, chemical inventory & more
Smart Thermodynamic Modeling with Graph Neural Networks
HBAT 2 is migrated from PERL to Python.
Smart Thermodynamic Modeling with Graph Neural Networks
ML based QSAR Modelling And Translation of Model to Deployable WebApps
Chemical structures database & machine learning with web services API
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra