Alain C. Vaucher

According to our database, Alain C. Vaucher authored at least 8 papers between 2016 and 2023.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2023

Standardizing chemical compounds with language models.

Miruna T. Cretu, Alessandra Toniato, Amol Thakkar, Amin A Debabeche, Teodoro Laino, Alain C. Vaucher

Mach. Learn. Sci. Technol., September, 2023

2021

Mapping the space of chemical reactions using attention-based neural networks.

Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond

Nat. Mach. Intell., 2021

Prediction of chemical reaction yields using deep learning.

Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond

Mach. Learn. Sci. Technol., 2021

Neural Machine Translation for Conditional Generation of Novel Procedures.

Joppe Geluykens, Sandra Mitrovic, Carlos Ortega Vázquez, Teodoro Laino, Alain C. Vaucher, Jochen De Weerdt

Proceedings of the 54th Hawaii International Conference on System Sciences, 2021

2019

GuacaMol: Benchmarking Models for de Novo Molecular Design.

Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher

J. Chem. Inf. Model., 2019

Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality.

Silvia Amabilino, Lars A. Bratholm, Simon J. Bennie, Alain C. Vaucher, Markus Reiher, David R. Glowacki

CoRR, 2019

2016

Molecular Propensity as a Driver for Explorative Reactivity Studies.

Alain C. Vaucher, Markus Reiher

J. Chem. Inf. Model., 2016

Real-time feedback from iterative electronic structure calculations.

Alain C. Vaucher, Moritz P. Haag, Markus Reiher

J. Comput. Chem., 2016