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Supplementary material for 'Towards a structural identification of metastable...
This dataset contains simulation input files for GROMACS (topologies, index, simulation parameters, starting frames, run script) to be able to reproduce the data in the... -
Maximum volume simplex method for automatic selection and classification of a...
Fingerprint distances, which measure the similarity of atomic environments, are commonly calculated from atomic environment fingerprint vectors. In this work, we present the...
