Digital Discovery · 2022 · 33 citations · 13 references
Natural SciencesChemistryMaterials ScienceComputational ChemistryNanotechnologySpectroscopySpectral Data ProcessingGold NanostructuresMass Spectral Data AnalysisNanometrologyNanoparticlesRiemannian Metric
A Riemannian metric for spectral data is introduced to efficiently compute shape matching distances for material retrosynthesis in high-throughput autonomous laboratories.
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Matplotlib: A 2D Graphics Environment
John D. Hunter · Computing in Science & Engineering · 2007 · 39.6K citations
SciPy 1.0: fundamental algorithms for scientific computing in Python
Nature Methods · 2020 · 37.9K citations · Full text