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Mohammadamin Tavakoli

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AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning

Nov 02, 2023
Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov, Ann Marie Carlton, David Van Vranken, Pierre Baldi

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Deep Learning Models of the Discrete Component of the Galactic Interstellar Gamma-Ray Emission

Jun 06, 2022
Alexander Shmakov, Mohammadamin Tavakoli, Pierre Baldi, Christopher M. Karwin, Alex Broughton, Simona Murgia

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Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation

Jan 02, 2022
Mohammadamin Tavakoli, Alexander Shmakov, Francesco Ceccarelli, Pierre Baldi

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Tourbillon: a Physically Plausible Neural Architecture

Jul 22, 2021
Mohammadamin Tavakoli, Peter Sadowski, Pierre Baldi

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Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity

Mar 24, 2021
Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi

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SPLASH: Learnable Activation Functions for Improving Accuracy and Adversarial Robustness

Jun 16, 2020
Mohammadamin Tavakoli, Forest Agostinelli, Pierre Baldi

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Continuous Representation of Molecules Using Graph Variational Autoencoder

Apr 17, 2020
Mohammadamin Tavakoli, Pierre Baldi

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