photophys

Pinned Repositories

cluster-vis
React Single-Page-Application visualizing the results of MOLGA's structure clustering process.
Language:JavaScript00
MOLGA.jl
Julia package to search the chemical space for molecular structures using a genetic algorithm with XTB/Gaussian and integrated structure clustering.
Language:Julia00

photophys's Repositories

photophys/cluster-vis
React Single-Page-Application visualizing the results of MOLGA's structure clustering process.
Language:JavaScript
photophys/MOLGA.jl
Julia package to search the chemical space for molecular structures using a genetic algorithm with XTB/Gaussian and integrated structure clustering.
Language:Julia