Mohammadamin Tavakoli

15 papers A* 1Journal 13Unranked 1

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	Chemically Informed Deep Learning for Interpretable Radical Reaction Prediction. J. Chem. Inf. Model. Mohammadamin Tavakoli, Yin Ting T. Chiu, Ann Marie Carlton, David Van Vranken, Pierre Baldi
2024	J	`jnl`	PMechDB: A Public Database of Elementary Polar Reaction Steps. J. Chem. Inf. Model. Mohammadamin Tavakoli, Ryan J. Miller, Mirana Angel, Michael A. Pfeiffer, Eugene S. Gutman, Aaron Mood, David Van Vranken, Pierre Baldi
2024	J	`jnl`	Unraveling the Molecular Magic: AI Insights on the Formation of Extraordinarily Stretchable Hydrogels. CoRR Shahriar Hojjati Emmami, Ali Pilehvar Meibody, Lobat Tayebi, Mohammadamin Tavakoli, Pierre Baldi
2023	A*	`conf`	AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning. NeurIPS Mohammadamin Tavakoli, Pierre Baldi, Ann Marie Carlton, Yin Ting T. Chiu, Alexander Shmakov, David Van Vranken
2023	J	`jnl`	AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning. CoRR Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov, Ann Marie Carlton, David Van Vranken, Pierre Baldi
2023	J	`jnl`	RMechDB: A Public Database of Elementary Radical Reaction Steps. J. Chem. Inf. Model. Mohammadamin Tavakoli, Yin Ting T. Chiu, Pierre Baldi, Ann Marie Carlton, David Van Vranken
2022	J	`jnl`	Deep Learning Models of the Discrete Component of the Galactic Interstellar Gamma-Ray Emission. CoRR Alexander Shmakov, Mohammadamin Tavakoli, Pierre Baldi, Christopher M. Karwin, Alex Broughton, Simona Murgia
2022	J	`jnl`	Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. J. Chem. Inf. Model. Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi
2022	J	`jnl`	Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation. CoRR Mohammadamin Tavakoli, Alexander Shmakov, Francesco Ceccarelli, Pierre Baldi
2021	J	`jnl`	Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. CoRR Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi
2021	J	`jnl`	SPLASH: Learnable activation functions for improving accuracy and adversarial robustness. Neural Networks Mohammadamin Tavakoli, Forest Agostinelli, Pierre Baldi
2021	J	`jnl`	Tourbillon: a Physically Plausible Neural Architecture. CoRR Mohammadamin Tavakoli, Peter J. Sadowski, Pierre Baldi
2020	J	`jnl`	Continuous Representation of Molecules Using Graph Variational Autoencoder. CoRR Mohammadamin Tavakoli, Pierre Baldi
2020	—	`conf`	Continuous Representation of Molecules using Graph Variational Autoencoder. AAAI Spring Symposium: MLPS Mohammadamin Tavakoli, Pierre Baldi
2020	J	`jnl`	SPLASH: Learnable Activation Functions for Improving Accuracy and Adversarial Robustness. CoRR Mohammadamin Tavakoli, Forest Agostinelli, Pierre Baldi