David Van Vranken

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 6

Top Topics

Quantum Mechanics

Human Decision Making

Top Venues

J. Chem. Inf. Model.

Publications

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) (2024)
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 (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) (2023)
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) (2022)
Mohammadamin Tavakoli, Aaron Mood, David Van Vranken, Pierre Baldi
Quantum Mechanics and Machine Learning Synergies: Graph Attention Neural Networks to Predict Chemical Reactivity. CoRR (2021)