ASALI is an open-source code for chemical engineers
Theoretical Density, Orbital Relaxation and Exciton analysis
Generating cells for electronic structure calculations from CIF files
An intuitive molecular editor and visualization tool
Diffraction related calculations in Fortran 2003
Open-Source Cheminformatics and Machine Learning
Comprehensive thermal analysis software package
Open source codes related to dissipative particle dynamics
Simple Molecular Interaction Potential Generator in Python