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Theoretical and Computational Chemistry

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Chih-Hsuan Yang

2 results in Authors: Chih-Hsuan Yang

Theoretical and Computational Chemistry

MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules

Chih-Hsuan Yang, Rebekah Duke, Parker Sornberger, Moses Ogbaje, Chad Risko, Baskar Ganapathysubramanian

Version 1 posted 25 February 2025

123

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Theoretical and Computational Chemistry

Evaluating molecular similarity measures: Do similarity measures reflect electronic structure properties?

Rebekah Duke, Chih-Hsuan Yang, Baskar Ganapathysubramanian, Chad Risko

Version 1 posted 30 January 2025

260

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