1 code implementation • 21 Nov 2023 • Micha Livne, Zulfat Miftahutdinov, Elena Tutubalina, Maksim Kuznetsov, Daniil Polykovskiy, Annika Brundyn, Aastha Jhunjhunwala, Anthony Costa, Alex Aliper, Alán Aspuru-Guzik, 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 • 3 Feb 2021 • Maksim Kuznetsov, Daniil Polykovskiy
We propose a hierarchical normalizing flow model for generating molecular graphs.
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.
1 code implementation • 4 Mar 2020 • Daniil Polykovskiy, Dmitry Vetrov
Variational autoencoders are prominent generative models for modeling discrete data.
1 code implementation • NeurIPS 2019 • Maksim Kuznetsov, Daniil Polykovskiy, Dmitry Vetrov, Alexander Zhebrak
Previous works show that the richer family of prior distributions may help to avoid the mode collapse problem in GANs and to improve the evidence lower bound in VAEs.
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 • 11 Nov 2018 • Iurii Kemaev, Daniil Polykovskiy, Dmitry Vetrov
Neural Network is a powerful Machine Learning tool that shows outstanding performance in Computer Vision, Natural Language Processing, and Artificial Intelligence.
no code implementations • ICLR 2018 • Daniil Polykovskiy, Dmitry Soloviev
Neural conversational models are widely used in applications like personal assistants and chat bots.