most citedMFBind: a Multi-Fidelity Approach for Evaluating Drug Compounds in Practical Generative Modeling

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cs.LG2024

Technical report: Improving the properties of molecules generated by LIMO

Vineet Thumuluri, Peter Eckmann, Michael K. Gilson +1

This technical report investigates variants of the Latent Inceptionism on Molecules (LIMO) framework to improve the properties of generated molecules. We conduct ablative studies o…