url: "/api/tracks",
Comparison of the N-closest and N-convex algorithms using an 8-colour irregular palette with . Left to right: N-closest, N-convex.
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Анна Габай (Редактор отдела «Силовые структуры»)
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.