遇见数据集

Random functions as data compressors for machine learning of molecular processes

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Zenodo2025-09-24 更新2026-05-26 收录
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This repository contains the results shown in manuscript titled Random functions as data compressors for machine learning of molecular processes, J. Debnath and G. Hummer, arXiv:2509.17937 In this repository, we have included: An ipython notebook to recreate the results for Alanine Dipeptide Dictionary objects to reproduce the results shown for NTL9 (backbone distances), Norleucine double mutant of Villin (backbone distances, c-alpha distances, shifted dihedral angles, heavy atom positions)

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Zenodo
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2025-09-24
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