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5 results in Keywords: Representations

Benchmarking Physics-inspired Machine Learning Models for Transition Metal Complexes with Diverse Charge and Spin States

Yuri Cho, Ksenia R. Briling, Yannick Calvino Alonso, Rubén Laplaza, Clemence Corminboeuf

Version 1 posted 16 December 2025

136

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by ChemRxiv

Computer Science

Synchronized Conceptual Representations in Generative Learning

Version 1 posted 24 December 2020

160

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1

Citations

by Cambridge Open Engage

Deep Learning Metal Complex Properties with Natural Quantum Graphs

Hannes Kneiding, Ruslan Lukin, Lucas Lang, Simen Reine, Thomas Bondo Pedersen, Riccardo De Bin, David Balcells

Version 2 posted 09 November 2022

1,354

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by ChemRxiv

Benchmarking machine-readable vectors of chemical re- actions on computed activation barriers

Puck van Gerwen, Ksenia R. Briling, Yannick Calvino Alonso, Malte Franke, Clemence Corminboeuf

Version 1 posted 04 September 2023

762

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by ChemRxiv

The language of organic chemistry: is fluency the key to success?

Ahmed M. Youssef, Alison B. Flynn

Version 1 posted 16 September 2024

225

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by ChemRxiv