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Publication search results
found 15 matches
- 2024
- Mohammadamin Tavakoli, Ryan J. Miller, Mirana Angel, Michael A. Pfeiffer, Eugene S. Gutman, Aaron Mood, David Van Vranken, Pierre Baldi:
PMechDB: A Public Database of Elementary Polar Reaction Steps. J. Chem. Inf. Model. 64(6): 1975-1983 (2024) - Shahriar Hojjati Emmami, Ali Pilehvar Meibody, Lobat Tayebi, Mohammadamin Tavakoli, Pierre Baldi:
Unraveling the Molecular Magic: AI Insights on the Formation of Extraordinarily Stretchable Hydrogels. CoRR abs/2403.05129 (2024) - 2023
- Mohammadamin Tavakoli, Yin Ting T. Chiu, Pierre Baldi, Ann Marie Carlton, David Van Vranken:
RMechDB: A Public Database of Elementary Radical Reaction Steps. J. Chem. Inf. Model. 63(4): 1114-1123 (2023) - Mohammadamin Tavakoli, Pierre Baldi, Ann Marie Carlton, Yin Ting T. Chiu, Alexander Shmakov, David Van Vranken:
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning. NeurIPS 2023 - Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov, Ann Marie Carlton, David Van Vranken, Pierre Baldi:
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning. CoRR abs/2311.01118 (2023) - 2022
- Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi:
Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. J. Chem. Inf. Model. 62(9): 2121-2132 (2022) - Mohammadamin Tavakoli, Alexander Shmakov, Francesco Ceccarelli, Pierre Baldi:
Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation. CoRR abs/2201.01196 (2022) - Alexander Shmakov, Mohammadamin Tavakoli, Pierre Baldi, Christopher M. Karwin, Alex Broughton, Simona Murgia:
Deep Learning Models of the Discrete Component of the Galactic Interstellar Gamma-Ray Emission. CoRR abs/2206.02819 (2022) - 2021
- Mohammadamin Tavakoli, Forest Agostinelli, Pierre Baldi:
SPLASH: Learnable activation functions for improving accuracy and adversarial robustness. Neural Networks 140: 1-12 (2021) - Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi:
Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. CoRR abs/2103.14536 (2021) - Mohammadamin Tavakoli, Peter J. Sadowski, Pierre Baldi:
Tourbillon: a Physically Plausible Neural Architecture. CoRR abs/2107.06424 (2021) - 2020
- Mohammadamin Tavakoli, Pierre Baldi:
Continuous Representation of Molecules using Graph Variational Autoencoder. AAAI Spring Symposium: MLPS 2020 - Mohammadamin Tavakoli, Pierre Baldi:
Continuous Representation of Molecules Using Graph Variational Autoencoder. CoRR abs/2004.08152 (2020) - Mohammadamin Tavakoli, Forest Agostinelli, Pierre Baldi:
SPLASH: Learnable Activation Functions for Improving Accuracy and Adversarial Robustness. CoRR abs/2006.08947 (2020) - 2019
- Issa Annamoradnejad, MohammadAmin Fazli, Jafar Habibi, Sadjad Tavakoli:
Cross-Cultural Studies Using Social Networks Data. IEEE Trans. Comput. Soc. Syst. 6(4): 627-636 (2019)
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