Simulate chemical processes using advanced thermodynamic models
Chemcrow
Scoring and Minimization with AutoDock Vina
An interactive viewer for three-dimensional chemical structures.
Fit X-ray Photoelectron Spectroscopy (XPS) and XAS data
X-Ray and Neutron Reflectivity Modeling
molecular editor and viewer
XDrawChem is an application for chemistry drawing and analysis.
2D molecule editor
ML based QSAR Modelling And Translation of Model to Deployable WebApps
Analysis, visualization, edition of 3D atomistic models
ASALI is an open-source code for chemical engineers
macOS version of the USGS geochemical modeling code PHREEQC
Approximate solvation free energy calculator
ShelXle is a Qt GUI for SHELXL
Chemical structure drawing tool