Deep learning for chemical reaction prediction D Fooshee, A Mood, E Gutman, M Tavakoli, G Urban, F Liu, N Huynh, ...
Molecular Systems Design & Engineering 3 (3), 442-452, 2018
197 2018 Splash: Learnable activation functions for improving accuracy and adversarial robustness M Tavakoli, F Agostinelli, P Baldi
Neural Networks 140, 1-12, 2021
40 2021 Methyl anion affinities of the canonical organic functional groups A Mood, M Tavakoli, E Gutman, D Kadish, P Baldi, DL Van Vranken
The Journal of organic chemistry 85 (6), 4096-4102, 2020
27 2020 Quantum mechanics and machine learning synergies: graph attention neural networks to predict chemical reactivity M Tavakoli, A Mood, D Van Vranken, P Baldi
Journal of Chemical Information and Modeling 62 (9), 2121-2132, 2022
26 2022 Continuous Representation of Molecules Using Graph Variational Autoencoder M Tavakoli, P Baldi
AAAI Spring Symposium: MLPS, 2020
16 2020 Methyl cation affinities of canonical organic functional groups D Kadish, AD Mood, M Tavakoli, ES Gutman, P Baldi, DL Van Vranken
The Journal of Organic Chemistry 86 (5), 3721-3729, 2021
14 2021 Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation M Tavakoli, A Shmakov, F Ceccarelli, P Baldi
AAAI 2022, Deep Learning on Graphs: Methods and Applications, 2022
9 2022 Rmechdb: A public database of elementary radical reaction steps M Tavakoli, YTT Chiu, P Baldi, AM Carlton, D Van Vranken
Journal of chemical information and modeling 63 (4), 1114-1123, 2023
7 2023 Deep learning models of the discrete component of the Galactic interstellar A Shmakov, M Tavakoli, P Baldi, CM Karwin, A Broughton, S Murgia
Physical Review D 107 (6), 063018, 2023
3 2023 AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning M Tavakoli, P Baldi, AM Carlton, YT Chiu, A Shmakov, D Van Vranken
Advances in Neural Information Processing Systems 36, 2024
2 2024 Improved modeling of the discrete component of the Galactic interstellar Fermi –LAT Galactic Center excess CM Karwin, A Broughton, S Murgia, A Shmakov, M Tavakoli, P Baldi
Physical Review D 107 (12), 123032, 2023
2 2023 PMechDB: A Public Database of Elementary Polar Reaction Steps M Tavakoli, RJ Miller, MC Angel, MA Pfeiffer, ES Gutman, AD Mood, ...
Journal of Chemical Information and Modeling, 2024
1 2024 Tourbillon: a physically plausible neural architecture M Tavakoli, P Sadowski, P Baldi
arXiv preprint arXiv:2107.06424, 2021
1 2021 Unraveling the Molecular Magic: AI Insights on the Formation of Extraordinarily Stretchable Hydrogels SH Emmami, AP Meibody, L Tayebi, M Tavakoli, P Baldi
arXiv preprint arXiv:2403.05129, 2024
2024 Machine Intelligence for Chemistry: From Deep Learning Architectures to Open Data M Tavakoli
University of California, Irvine, 2023
2023 Deep Learning to Reconstruct Gas Skymaps for Dark Matter Detection A Shmakov, T Mohammdamin, PB Chris Karwin, Simona Murgia
Neural Information Processing Systems 2020, Machine Learning and the …, 2020
2020 
Pierre BaldiProfessor, University of California, IrvineAdresse e-mail validée de ics.uci.edu
