Fueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia
Paper
Publications
37 results for Alain Vaucher
Standardizing chemical compounds with language models
- Miruna T Cretu
- Alessandra Toniato
- et al.
- 2023
- Machine Learning: Science and Tech.
PaperUnbiasing Retrosynthesis Language Models with Disconnection Prompts
- Amol Thakkar
- Alain Vaucher
- et al.
- 2023
- ACS Central Science
PaperDesigning catalysts with deep generative models and computational data. A case study for Suzuki cross coupling reactions
- Oliver Schilter
- Alain Vaucher
- et al.
- 2023
- Digital Discovery
PaperQuantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning
- Alessandra Toniato
- Jan P. Unsleber
- et al.
- 2023
- Digital Discovery
PaperA new era of collaborative experimentation enabled by multi-cloud and AI foundation models
- Patrick Ruch
- Alain Vaucher
- et al.
- 2023
- Future Labs Live 2023
Conference paperQuantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- Alessandra Toniato
- Jan Unsleber
- et al.
- 2023
- MRS Spring Meeting 2023
TalkEnhancing diversity in language based models for single-step retrosynthesis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2023
- Digital Discovery
PaperIncreasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- Alain Vaucher
- Matteo Manica
- et al.
- 2023
- ACS Spring 2023
Invited talkStandardization of chemical compounds using language modeling
- Miruna Cretu
- Alessandra Toniato
- et al.
- 2023
- ACS Spring 2023
Talk