Timezone: »
Panel
Alan Aspuru-Guzik · Jennifer Listgarten · Klaus-Robert Müller · Nadine Schneider
Author Information
Alan Aspuru-Guzik (University of Toronto)
Jennifer Listgarten (UC Berkeley)
Klaus-Robert Müller (TU Berlin)
Nadine Schneider (Novartis)
More from the Same Authors
-
2021 : FS-Mol: A Few-Shot Learning Dataset of Molecules »
Megan Stanley · John Bronskill · Krzysztof Maziarz · Hubert Misztela · Jessica Lanini · Marwin Segler · Nadine Schneider · Marc Brockschmidt -
2021 : Learning Discrete Neural Reaction Class to Improve Retrosynthesis Prediction »
Théophile Gaudin · Animesh Garg · Alan Aspuru-Guzik -
2022 : Assessing multi-objective optimization of molecules with genetic algorithms against relevant baselines »
Nathanael Kusanda · Gary Tom · Riley Hickman · AkshatKumar Nigam · Kjell Jorner · Alan Aspuru-Guzik -
2022 : Group SELFIES: A Robust Fragment-Based Molecular String Representation »
Austin Cheng · Andy Cai · Santiago Miret · Gustavo Malkomes · Mariano Phielipp · Alan Aspuru-Guzik -
2022 : Conformer Search Using SE3-Transformers and Imitation Learning »
Luca Thiede · Santiago Miret · Krzysztof Sadowski · Haoping Xu · Mariano Phielipp · Alan Aspuru-Guzik -
2022 Workshop: AI for Accelerated Materials Design (AI4Mat) »
Santiago Miret · Marta Skreta · Zamyla Morgan-Chan · Benjamin Sanchez-Lengeling · Shyue Ping Ong · Alan Aspuru-Guzik -
2021 Poster: Efficient hierarchical Bayesian inference for spatio-temporal regression models in neuroimaging »
Ali Hashemi · Yijing Gao · Chang Cai · Sanjay Ghosh · Klaus-Robert Müller · Srikantan Nagarajan · Stefan Haufe -
2021 Poster: SE(3)-equivariant prediction of molecular wavefunctions and electronic densities »
Oliver Unke · Mihail Bogojeski · Michael Gastegger · Mario Geiger · Tess Smidt · Klaus-Robert Müller -
2020 : Invited Talk: Jennifer Listgarten »
Jennifer Listgarten -
2020 : Invited Talk: Klaus Robert-Müller & Kristof Schütt: Machine Learning meets Quantum Chemistry »
Klaus-Robert Müller · Kristof Schütt -
2020 : Invited Talk: Nadine Schneider -Real-world application of ML in drug discovery »
Nadine Schneider -
2020 Workshop: Learning Meaningful Representations of Life (LMRL.org) »
Elizabeth Wood · Debora Marks · Ray Jones · Adji Bousso Dieng · Alan Aspuru-Guzik · Anshul Kundaje · Barbara Engelhardt · Chang Liu · Edward Boyden · Kresten Lindorff-Larsen · Mor Nitzan · Smita Krishnaswamy · Wouter Boomsma · Yixin Wang · David Van Valen · Orr Ashenberg -
2020 Poster: Autofocused oracles for model-based design »
Clara Fannjiang · Jennifer Listgarten -
2019 : Alán Aspuru-Guzik »
Alan Aspuru-Guzik -
2019 : Molecules and Genomes »
David Haussler · Djork-Arné Clevert · Michael Keiser · Alan Aspuru-Guzik · David Duvenaud · David Jones · Jennifer Wei · Alexander D'Amour -
2018 Workshop: Machine Learning for Molecules and Materials »
José Miguel Hernández-Lobato · Klaus-Robert Müller · Brooks Paige · Matt Kusner · Stefan Chmiela · Kristof Schütt -
2018 Poster: Gaussian Process Prior Variational Autoencoders »
Francesco Paolo Casale · Adrian Dalca · Luca Saglietti · Jennifer Listgarten · Nicolo Fusi -
2017 : Machine Learning for Molecular Materials Design »
Alan Aspuru-Guzik -
2017 Workshop: Machine Learning for Molecules and Materials »
Kristof Schütt · Klaus-Robert Müller · Anatole von Lilienfeld · José Miguel Hernández-Lobato · Klaus-Robert Müller · Alan Aspuru-Guzik · Bharath Ramsundar · Matt Kusner · Brooks Paige · Stefan Chmiela · Alexandre Tkatchenko · Anatole von Lilienfeld · Koji Tsuda