Chad Risko
@cmrisko.bsky.social
Father. Husband. John C. Hubbard Professor of Chemistry at U. Kentucky. Nerd. Sports Enthusiast. Views expressed are my own. he/him #EndNF.
Introducing MolGen-Transformer, the result of a longstanding collaboration with Baskar Ganapathysubramanian that has been led by Bella Yang and Rebekah Duke-Crockett with additional contributions from Moses Ogbaje and Parker Sornberger.
lnkd.in/eSTnFXXb
lnkd.in/eSTnFXXb
MolGen-Transformer: A molecule language model for the generation and latent space exploration of pi-conjugated molecules
The application of generative artificial intelligence (AI) to molecular discovery has unlocked vast potential for the automated design of new chemical systems. Molecular language models (LM), however,...
lnkd.in
February 27, 2025 at 1:49 AM
Introducing MolGen-Transformer, the result of a longstanding collaboration with Baskar Ganapathysubramanian that has been led by Bella Yang and Rebekah Duke-Crockett with additional contributions from Moses Ogbaje and Parker Sornberger.
lnkd.in/eSTnFXXb
lnkd.in/eSTnFXXb
How do you choose your approach to identify molecular similarity? In this latest collaborative work led by Rebekah Duke, we introduce a framework to evaluate the correlation between molecular similarity and properties.
chemrxiv.org/engage/chemr...
chemrxiv.org/engage/chemr...
Evaluating molecular similarity measures: Do similarity measures reflect electronic structure properties?
The rapid adoption of big data, machine learning (ML), and generative artificial intelligence (AI) in chemical discovery has heightened the importance of quantifying molecular similarity. Molecular si...
chemrxiv.org
January 30, 2025 at 2:22 PM
How do you choose your approach to identify molecular similarity? In this latest collaborative work led by Rebekah Duke, we introduce a framework to evaluate the correlation between molecular similarity and properties.
chemrxiv.org/engage/chemr...
chemrxiv.org/engage/chemr...