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foundation models

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3 results in Keywords: foundation models

Theoretical and Computational Chemistry

Universally Accurate or Specifically Inadequate? Stress-testing General Purpose Machine Learning Interatomic Potentials

Konstantin Jakob, Karsten Reuter, Johannes T. Margraf

Version 1 posted 04 March 2025

283

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Materials Science

Ontology-conformal recognition of materials entities using language models

Rachana Niranjan Murthy, Sai Teja Potu, Akhil Thomas, Lokesh Mishra, Natalie Prange, Ali Riza Durmaz

Version 1 posted 04 September 2024

298

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1

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Theoretical and Computational Chemistry

Graph Transformer Foundation Model for modeling ADMET properties

Mikolaj Mizera, Arkadii Lin, Eugene Babin, Yury Kashkur, Tatiana Sitnik, Ien An Chan, Arsen Yedige, Maksim Vendin, Shamkhal Baybekov, Vladimir Aladinskiy

Version 1 posted 20 September 2024

517

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