no code implementations • 13 Feb 2024 • Mohammad Ghazi Vakili, Christoph Gorgulla, AkshatKumar Nigam, Dmitry Bezrukov, Daniel Varoli, Alex Aliper, Daniil Polykovsky, Krishna M. Padmanabha Das, Jamie Snider, Anna Lyakisheva, Ardalan Hosseini Mansob, Zhong Yao, Lela Bitar, Eugene Radchenko, Xiao Ding, Jinxin Liu, Fanye Meng, Feng Ren, Yudong Cao, Igor Stagljar, Alán Aspuru-Guzik, Alex Zhavoronkov
The discovery of small molecules with therapeutic potential is a long-standing challenge in chemistry and biology.
no code implementations • 21 Nov 2023 • Micha Livne, Zulfat Miftahutdinov, Elena Tutubalina, Maksim Kuznetsov, Daniil Polykovskiy, Annika Brundyn, Aastha Jhunjhunwala, Anthony Costa, Alex Aliper, Alex Zhavoronkov
Large Language Models (LLMs) have substantially driven scientific progress in various domains, and many papers have demonstrated their ability to tackle complex problems with creative solutions.
no code implementations • 21 Jan 2022 • Feng Ren, Xiao Ding, Min Zheng, Mikhail Korzinkin, Xin Cai, Wei Zhu, Alexey Mantsyzov, Alex Aliper, Vladimir Aladinskiy, Zhongying Cao, Shanshan Kong, Xi Long, Bonnie Hei Man Liu, Yingtao Liu, Vladimir Naumov, Anastasia Shneyderman, Ivan V. Ozerov, Ju Wang, Frank W. Pun, Alan Aspuru-Guzik, Michael Levitt, Alex Zhavoronkov
The AlphaFold computer program predicted protein structures for the whole human genome, which has been considered as a remarkable breakthrough both in artificial intelligence (AI) application and structural biology.
no code implementations • 22 Jan 2021 • Yan A. Ivanenkov, Alex Zhebrak, Dmitry Bezrukov, Bogdan Zagribelnyy, Vladimir Aladinskiy, Daniil Polykovskiy, Evgeny Putin, Petrina Kamya, Alexander Aliper, Alex Zhavoronkov
Chemistry42 is a software platform for de novo small molecule design that integrates Artificial Intelligence (AI) techniques with computational and medicinal chemistry methods.
3 code implementations • 29 Nov 2018 • Daniil Polykovskiy, Alexander Zhebrak, Benjamin Sanchez-Lengeling, Sergey Golovanov, Oktai Tatanov, Stanislav Belyaev, Rauf Kurbanov, Aleksey Artamonov, Vladimir Aladinskiy, Mark Veselov, Artur Kadurin, Simon Johansson, Hongming Chen, Sergey Nikolenko, Alan Aspuru-Guzik, Alex Zhavoronkov
Generative models are becoming a tool of choice for exploring the molecular space.
no code implementations • 9 Jul 2017 • Konstantin Chekanov, Polina Mamoshina, Roman V. Yampolskiy, Radu Timofte, Morten Scheibye-Knudsen, Alex Zhavoronkov
Diversity is one of the fundamental properties for the survival of species, populations, and organizations.