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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search), algorithm both (Expand Search)
algorithm shows » algorithm allows (Expand Search), algorithm flow (Expand Search)
python function » protein function (Expand Search)
algorithm wave » algorithm based (Expand Search), algorithm where (Expand Search), algorithm a (Expand Search)
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wave function » rate function (Expand Search), a function (Expand Search), gene function (Expand Search)
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Compression of Spin-Adapted Multiconfigurational Wave Functions in Exchange-Coupled Polynuclear Spin Systems
Published 2020“…The wave function compression resulting from this approach is particularly attractive for antiferromagnetically coupled polynuclear spin systems, such as transition-metal cubanes in biocatalysis, and Mott and charge-transfer insulators in solid-state physics. …”
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A Python Package for the Localization of Protein Modifications in Mass Spectrometry Data
Published 2022Subjects: -
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Python implementation of the Trajectory Adaptive Multilevel Sampling algorithm for rare events and improvements
Published 2021“…<div>This directory contains Python 3 scripts implementing the Trajectory Adaptive Multilevel Sampling algorithm (TAMS), a variant of Adaptive Multilevel Splitting (AMS), for the study of rare events. …”
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