Benjamín Sánchez-Lengeling

Publication Activity (10 Years)

Years Active: 2017-2022
Publications (10 Years): 9

Top Topics

Covariate Shift

Molecular Biology

Machine Learning

Probabilistic Model

Top Venues

Mach. Learn. Sci. Technol.

Nat. Mach. Intell.

J. Chem. Inf. Model.

Publications

Gary Tom, Riley J. Hickman, Aniket Zinzuwadia, Afshan Mohajeri, Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik
Calibration and generalizability of probabilistic models on low-data chemical datasets with DIONYSUS. CoRR (2022)
Zhenpeng Yao, Benjamín Sánchez-Lengeling, N. Scott Bobbitt, Benjamin J. Bucior, Sai Govind Hari Kumar, Sean P. Collins, Thomas Burns, Tom K. Woo, Omar K. Farha, Randall Q. Snurr, Alán Aspuru-Guzik
Inverse design of nanoporous crystalline reticular materials with deep generative models. Nat. Mach. Intell. 3 (1) (2021)
Ganesh Sivaraman, Nicholas E. Jackson, Benjamín Sánchez-Lengeling, Álvaro Vázquez-Mayagoitia, Alán Aspuru-Guzik, Venkatram Vishwanath, Juan J. de Pablo
A machine learning workflow for molecular analysis: application to melting points. Mach. Learn. Sci. Technol. 1 (2) (2020)
Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Emily Reif, Peter Wang, Wesley Wei Qian, Kevin McCloskey, Lucy J. Colwell, Alexander B. Wiltschko
Evaluating Attribution for Graph Neural Networks. NeurIPS (2020)
Benjamín Sánchez-Lengeling, Jennifer N. Wei, Brian K. Lee, Richard C. Gerkin, Alán Aspuru-Guzik, Alexander B. Wiltschko
Machine Learning for Scent: Learning Generalizable Perceptual Representations of Small Molecules. CoRR (2019)
Evgeny Putin, Arip Asadulaev, Yan Ivanenkov, Vladimir Aladinskiy, Benjamín Sánchez-Lengeling, Alán Aspuru-Guzik, Alex Zhavoronkov
Reinforced Adversarial Neural Computer for de Novo Molecular Design. J. Chem. Inf. Model. 58 (6) (2018)
Adrian Jinich, Avi I. Flamholz, Haniu Ren, Sungjin Kim, Benjamín Sánchez-Lengeling, Charles A. R. Cotton, Elad Noor, Alán Aspuru-Guzik, Arren Bar-Even
Quantum chemistry reveals thermodynamic principles of redox biochemistry. PLoS Comput. Biol. 14 (10) (2018)
Daniil Polykovskiy, Alexander Zhebrak, Benjamín Sánchez-Lengeling, Sergey Golovanov, Oktai Tatanov, Stanislav Belyaev, Rauf Kurbanov, Aleksey Artamonov, Vladimir Aladinskiy, Mark Veselov, Artur Kadurin, Sergey I. Nikolenko, Alán Aspuru-Guzik, Alex Zhavoronkov
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models. CoRR (2018)
Gabriel Lima Guimaraes, Benjamín Sánchez-Lengeling, Pedro Luis Cunha Farias, Alán Aspuru-Guzik
Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models. CoRR (2017)