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I'm expanding my computational biology toolkit in rust. Of recent interest is optimizing long-range molecular dynamics forces on GPU and SIMD, adding support to
by the__alchemist 1y ago
I'm expanding my computational biology toolkit in rust. Of recent interest is optimizing long-range molecular dynamics forces on GPU and SIMD, adding support to generate lipid membranes and LNPs, and a 3D small molecule editor with integrated dynamics.
https://github.com/David-OConnor/daedalus https://github.com/David-OConnor/daedalus