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A glowing computational chemistry simulation emerges from a cricket kitbag, surrounded by bats, pads, helmets, and molecular data displays.

A glowing computational chemistry simulation emerges from a cricket kitbag, surrounded by bats, pads, helmets, and molecular data displays.

I have a computational chemistry software pipeline to do docking, molecular dynamics and cheminformatics. It is named the Kitbag, a reference to the sport of cricket where players keep all of their gear, often messy. See more