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Nathan C. Frey

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Protein Discovery with Discrete Walk-Jump Sampling

Jun 08, 2023
Nathan C. Frey, Daniel Berenberg, Karina Zadorozhny, Joseph Kleinhenz, Julien Lafrance-Vanasse, Isidro Hotzel, Yan Wu, Stephen Ra, Richard Bonneau, Kyunghyun Cho, Andreas Loukas, Vladimir Gligorijevic, Saeed Saremi

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Protein Design with Guided Discrete Diffusion

May 31, 2023
Nate Gruver, Samuel Stanton, Nathan C. Frey, Tim G. J. Rudner, Isidro Hotzel, Julien Lafrance-Vanasse, Arvind Rajpal, Kyunghyun Cho, Andrew Gordon Wilson

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SupSiam: Non-contrastive Auxiliary Loss for Learning from Molecular Conformers

Feb 15, 2023
Michael Maser, Ji Won Park, Joshua Yao-Yu Lin, Jae Hyeon Lee, Nathan C. Frey, Andrew Watkins

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A Green(er) World for A.I

Jan 27, 2023
Dan Zhao, Nathan C. Frey, Joseph McDonald, Matthew Hubbell, David Bestor, Michael Jones, Andrew Prout, Vijay Gadepally, Siddharth Samsi

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Graph Contrastive Learning for Materials

Nov 24, 2022
Teddy Koker, Keegan Quigley, Will Spaeth, Nathan C. Frey, Lin Li

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A Pareto-optimal compositional energy-based model for sampling and optimization of protein sequences

Oct 19, 2022
Nataša Tagasovska, Nathan C. Frey, Andreas Loukas, Isidro Hötzel, Julien Lafrance-Vanasse, Ryan Lewis Kelly, Yan Wu, Arvind Rajpal, Richard Bonneau, Kyunghyun Cho, Stephen Ra, Vladimir Gligorijević

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SELFIES and the future of molecular string representations

Mar 31, 2022
Mario Krenn, Qianxiang Ai, Senja Barthel, Nessa Carson, Angelo Frei, Nathan C. Frey, Pascal Friederich, Théophile Gaudin, Alberto Alexander Gayle, Kevin Maik Jablonka, Rafael F. Lameiro, Dominik Lemm, Alston Lo, Seyed Mohamad Moosavi, José Manuel Nápoles-Duarte, AkshatKumar Nigam, Robert Pollice, Kohulan Rajan, Ulrich Schatzschneider, Philippe Schwaller, Marta Skreta, Berend Smit, Felix Strieth-Kalthoff, Chong Sun, Gary Tom, Guido Falk von Rudorff, Andrew Wang, Andrew White, Adamo Young, Rose Yu, Alán Aspuru-Guzik

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Benchmarking Resource Usage for Efficient Distributed Deep Learning

Jan 28, 2022
Nathan C. Frey, Baolin Li, Joseph McDonald, Dan Zhao, Michael Jones, David Bestor, Devesh Tiwari, Vijay Gadepally, Siddharth Samsi

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FastFlows: Flow-Based Models for Molecular Graph Generation

Jan 28, 2022
Nathan C. Frey, Vijay Gadepally, Bharath Ramsundar

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Bringing Atomistic Deep Learning to Prime Time

Dec 09, 2021
Nathan C. Frey, Siddharth Samsi, Bharath Ramsundar, Connor W. Coley, Vijay Gadepally

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