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20192025
most citedOPTIMADE, an API for exchanging materials data

107 citations · 294 across the 13 of their papers we have counts for

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physics.chem-ph2024

Prediction of the Infrared Absorbance Intensities and Frequencies of Hydrocarbons:A Message Passing Neural Network Approach

Maliheh Shaban Tameh, Veaceslav Coropceanu, Thomas A. R. Purcell +1

Accurately and efficiently predicting the infrared (IR) spectra of a molecule can provide insights into the structure-properties relationships of molecular species, which has led t…