Built on the MACE framework by Batatia et al. (NeurIPS 2022). Sketch-a-Molecule uses RDKit for 3D coordinate generation and JSME for molecule drawing. 3D visualization powered by 3Dmol.js and WEAS. The ml-peg benchmark structures are sourced from established computational materials science datasets.
Digression I thought that was everything to read about it until I wrote this post, and then saw there are a couple more parts, which are now on my reading list, so this post will be only about the first part linked above.
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Part 1: The Hardware
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Что думаешь? Оцени!，更多细节参见咪咕体育直播在线免费看
"No, their population wants clean air."