Completion of partial chemical equations
- Federico Zipoli
- Zeineb Ayadi
- et al.
- 2024
- Machine Learning: Science and Tech.
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36 results for Alain Vaucher
Ultra-fast semi-empirical quantum chemistry for high-throughput computational campaigns with Sparrow
- Francesco Bosia
- Peikun Zheng
- et al.
- 2023
- Journal of Chemical Physics
Data-driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2022
- ChemRxiv
Machine intelligence for chemical reaction space
- Philippe Schwaller
- Alain C. Vaucher
- et al.
- 2022
- WIREs Computational Molecular Science
Grand challenges on accelerating discovery in catalysis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2022
- Catalysis Today
Prediction of chemical reaction yields using deep learning
- Philippe Schwaller
- Alain C. Vaucher
- et al.
- 2021
- Machine Learning: Science and Tech.