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Vaucher, Alain
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1

Ultra-fast semi-empirical quantum chemistry for high-throug..:

Bosia, Francesco ; Zheng, Peikun ; Vaucher, Alain...
The Journal of Chemical Physics.  158 (2023)  5 - p. , 2023
Link: https://doi.org/10.1063/..
 
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2

Designing catalysts with deep generative models and computa..:

Schilter, Oliver ; Vaucher, Alain ; Schwaller, Philippe.
Digital Discovery.  2 (2023)  3 - p. 728-735 , 2023
Link: https://doi.org/10.1039/..
 
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3

Two Bronze Medals for Switzerland at the 44th International..:

Wicky, Basile I. M. ; Keller, Sebastian ; Ludwig, Peter.
CHIMIA.  67 (2013)  5 - p. 351 , 2013
Link: https://doi.org/10.2533/..
 
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4

Two Bronze Medals for Switzerland at the 43rd International..:

Birbaum, Karin ; Ludwig, Peter ; Wicky, Basile.
CHIMIA.  66 (2012)  3 - p. 136 , 2012
Link: https://doi.org/10.2533/..
 
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5

Completion of partial chemical equations:

Zipoli, Federico ; Ayadi, Zeineb ; Schwaller, Philippe..
Machine Learning: Science and Technology.  5 (2024)  2 - p. 025071 , 2024
Link: https://doi.org/10.1088/..
 
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6

Language models and protocol standardization guidelines for..:

Suvarna, Manu ; Vaucher, Alain Claude ; Mitchell, Sharon..
Nature Communications.  14 (2023)  1 - p. , 2023
Link: https://doi.org/10.1038/..
 
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7

Standardizing chemical compounds with language models:

Cretu, Miruna T ; Toniato, Alessandra ; Thakkar, Amol...
Machine Learning: Science and Technology.  4 (2023)  3 - p. 035014 , 2023
Link: https://doi.org/10.1088/..
 
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8

Fuelling the Digital Chemistry Revolution with Language Mod..:

Cardinale, Antonio ; Castrogiovanni, Alessandro ; Gaudin, Theophile...
CHIMIA.  77 (2023)  7/8 - p. 484 , 2023
Link: https://doi.org/10.2533/..
 
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9

Unbiasing Retrosynthesis Language Models with Disconnection..:

Thakkar, Amol ; Vaucher, Alain C. ; Byekwaso, Andrea...
ACS Central Science.  9 (2023)  7 - p. 1488-1498 , 2023
Link: https://doi.org/10.1021/..
 
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10

Fast Customization of Chemical Language Models to Out-of-Di..:

Toniato, Alessandra ; Vaucher, Alain C. ; Lehmann, Marzena Maria...
Chemistry of Materials.  35 (2023)  21 - p. 8806-8815 , 2023
Link: https://doi.org/10.1021/..
 
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11

Quantum chemical data generation as fill-in for reliability..:

Toniato, Alessandra ; Unsleber, Jan P. ; Vaucher, Alain C....
Digital Discovery.  2 (2023)  3 - p. 663-673 , 2023
Link: https://doi.org/10.1039/..
 
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12

Enhancing diversity in language based models for single-ste..:

Toniato, Alessandra ; Vaucher, Alain C. ; Schwaller, Philippe.
Digital Discovery.  2 (2023)  2 - p. 489-501 , 2023
Link: https://doi.org/10.1039/..
 
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13

Grand challenges on accelerating discovery in catalysis:

Toniato, Alessandra ; Vaucher, Alain C. ; Laino, Teodoro
Catalysis Today.  387 (2022)  - p. 140-142 , 2022
Link: https://doi.org/10.1016/..
 
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14

Cover Image, Volume 12, Issue 5:

Schwaller, Philippe ; Vaucher, Alain C. ; Laplaza, Ruben...
WIREs Computational Molecular Science.  12 (2022)  5 - p. , 2022
Link: https://doi.org/10.1002/..
 
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15

Machine intelligence for chemical reaction space:

Schwaller, Philippe ; Vaucher, Alain C. ; Laplaza, Ruben...
WIREs Computational Molecular Science.  12 (2022)  5 - p. , 2022
Link: https://doi.org/10.1002/..
 
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