Fueling the Digital Chemistry Revolution with Language Models
- Teodoro Laino
- Alessandra Toniato
- 2023
- CECAM/Psi-k 2023
Publications
143 results for Teodoro Laino
Designing 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
Quantum 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
A new era of collaborative experimentation enabled by multi-cloud and AI foundation models
- Patrick Ruch
- Alain Vaucher
- et al.
- 2023
- Future Labs Live 2023
Quantum 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
Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- Yves Gaetan Nana Teukam
- Francesca Grisoni
- et al.
- 2023
- MRS Spring Meeting 2023
Growing Strings in a Chemical Reaction Space for Searching Retrosynthesis Pathways
- 2023
- MRS Spring Meeting 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- MRS Spring Meeting 2023
Enhancing diversity in language based models for single-step retrosynthesis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2023
- Digital Discovery
The Role of AI in Driving the Sustainability of the Chemical Industry
- Alessandra Toniato
- Oliver Schilter
- et al.
- 2023
- Chimia