4 projects
pyNanoMatBuilder
Build and visualize complex crystalline nanoparticle architectures, including models on substrates, for materials science, X-ray data analysis, and electron microscopy research
pyphyschemtools
A comprehensive Python toolbox for physical chemistry and cheminformatics
HMO
interactive application that allows users to draw the sigma skeleton of conjugated systems, build the corresponding Hückel matrix, calculate π molecular orbitals, and visualize the numerical results as tables and graphics
gSOMOs
A Python package to analyze magnetic molecular orbitals (SOMOs) from Gaussian outputs
