Alain C. Vaucher

11 papers Journal 10Unranked 1
YearRankTypeTitle / Venue / Authors
2024 J jnl
Completion of partial chemical equations.
Mach. Learn. Sci. Technol.
Federico Zipoli, Zeineb Ayadi, Philippe Schwaller, Teodoro Laino, Alain C. Vaucher
2023 J jnl
Standardizing chemical compounds with language models.
Mach. Learn. Sci. Technol.
Miruna T. Cretu, Alessandra Toniato, Amol Thakkar, Amin A Debabeche, Teodoro Laino, Alain C. Vaucher
2021 J jnl
Mapping the space of chemical reactions using attention-based neural networks.
Nat. Mach. Intell.
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
2021 — conf
Neural Machine Translation for Conditional Generation of Novel Procedures.
HICSS
Joppe Geluykens, Sandra Mitrovic, Carlos Ortega Vázquez, Teodoro Laino, Alain C. Vaucher, Jochen De Weerdt
2021 J jnl
Prediction of chemical reaction yields using deep learning.
Mach. Learn. Sci. Technol.
Philippe Schwaller, Alain C. Vaucher, Teodoro Laino, Jean-Louis Reymond
2020 J jnl
Mapping the Space of Chemical Reactions Using Attention-Based Neural Networks.
CoRR
Philippe Schwaller, Daniel Probst, Alain C. Vaucher, Vishnu H. Nair, David Kreutter, Teodoro Laino, Jean-Louis Reymond
2019 J jnl
GuacaMol: Benchmarking Models for de Novo Molecular Design.
J. Chem. Inf. Model.
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher
2019 J jnl
Training neural nets to learn reactive potential energy surfaces using interactive quantum chemistry in virtual reality.
CoRR
Silvia Amabilino, Lars A. Bratholm, Simon J. Bennie, Alain C. Vaucher, Markus Reiher, David R. Glowacki
2018 J jnl
GuacaMol: Benchmarking Models for De Novo Molecular Design.
CoRR
Nathan Brown, Marco Fiscato, Marwin H. S. Segler, Alain C. Vaucher
2016 J jnl
Molecular Propensity as a Driver for Explorative Reactivity Studies.
J. Chem. Inf. Model.
Alain C. Vaucher, Markus Reiher
2016 J jnl
Real-time feedback from iterative electronic structure calculations.
J. Comput. Chem.
Alain C. Vaucher, Moritz P. Haag, Markus Reiher