4 skills found
jmsolano / DenstoolkitDensToolKit is a suite of programs for analyzing the molecular electron density (ρ) and several fields derived from it. DTK also includes programs to analyze the topology of ρ. More information can be found in https://sites.google.com/site/jmsolanoalt/home/software/denstoolkit.
1JELC1 / Interaction Map ExplorerA Python tool for automated identification and topological analysis (QTAIM) of Critical Points at the interface between molecular fragments.
theochem / CuGBasisHigh performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.
santi921 / Qtaim GeneratorNo description available
