Boosting Heterogeneous Catalyst Discovery by Structurally Constrained Deep Learning Models. - Alexey N. Korovin; Innokentiy S. Humonen; Artem I. Samtsevich; Roman A. Eremin; Artem I. Vasilyev; Vladimir D. Lazarev; Semen A. Budennyy (CoRR, 2022)

Eco2AI: carbon emissions tracking of machine learning models as the first step towards sustainable AI. - Semen A. Budennyy; Vladimir D. Lazarev; Nikita Zakharenko; Alexey N. Korovin; Olga Plosskaya; Denis Dimitrov; Vladimir Arkhipkin; Ivan V. Oseledets; Ivan Barsola; Ilya Egorov; Aleksandra Kosterina; Leonid Zhukov (CoRR, 2022)

Unleashing the power of novel conditional generative approaches for new materials discovery. - Lev Novitskiy; Vladimir D. Lazarev; Mikhail Tiutiulnikov; Nikita Vakhrameev; Roman A. Eremin; Innokentiy S. Humonen; Andrey Kuznetsov; Denis Dimitrov; Semen A. Budennyy (CoRR, 2024)