Accurate classification of materials with elEmBERT: Element embeddings for chemical benchmarks

We introduce the elEmBERT model for chemical classification tasks. It is based on deep learning techniques, such as a multilayer encoder architecture. We demonstrate the opportunities offered by our approach on sets of organic, inorganic, and crystalline compounds. In particular, we developed and te...

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Bibliographic Details
Main Authors: Shokirbek Shermukhamedov, Dilorom Mamurjonova, Michael Probst
Format: Article
Language:English
Published: AIP Publishing LLC 2025-06-01
Series:APL Machine Learning
Online Access:http://dx.doi.org/10.1063/5.0232529
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