Cornet, François https://orcid.org/0009-0008-6157-862X
Deshmukh, Pratham https://orcid.org/0009-0004-1719-7310
Benediktsson, Bardi https://orcid.org/0000-0002-1578-9126
Schmidt, Mikkel N https://orcid.org/0000-0001-6927-8869
Bhowmik, Arghya https://orcid.org/0000-0003-3198-5116
Funding for this research was provided by:
Danmarks Frie Forskningsfond (0217-00326B)
Article Title: Improving generative inverse design of molecular catalysts in small data regime
Journal Title: Machine Learning: Science and Technology
Article Type: paper
Copyright Information: © 2025 The Author(s). Published by IOP Publishing Ltd
Publication dates
Date Received: 2025-01-10
Date Accepted: 2025-05-22
Online publication date: 2025-06-11