Publications

25 results for Philippe Schwaller

Language models can identify enzymatic binding sites in protein sequences
- - Yves Gaetan Nana Teukam
  - Loïc Kwate Dassi
  - et al.
- 2024
- Computational And Structural Biotechnology Journal
Balancing computational chemistry's potential with its environmental impact
- - Oliver Schilter
  - Philippe Schwaller
  - et al.
- 2024
- Green Chemistry
Completion of partial chemical equations
- - Federico Zipoli
  - Zeineb Ayadi
  - et al.
- 2024
- Machine Learning: Science and Tech.
Augmenting large language models with chemistry tools
- - Andres M. Bran
  - Sam Cox
  - et al.
- 2024
- Nature Machine Intelligence
CMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard
- - Oliver Tobias Schilter
  - Teodoro Laino
  - et al.
- 2024
- Appl. AI Lett.
Fueling the Digital Chemistry Revolution with Language Models
- - Antonio Cardinale
  - Alessandro Castrogiovanni
  - et al.
- 2023
- Chimia
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
Enhancing diversity in language based models for single-step retrosynthesis
- - Alessandra Toniato
  - Alain C. Vaucher
  - et al.
- 2023
- Digital Discovery
SELFIES and the future of molecular string representations
- - Mario Krenn
  - Qianxiang Ai
  - et al.
- 2022
- Patterns
Reaction classification and yield prediction using the differential reaction fingerprint DRFP
- - Daniel Probst
  - Philippe Schwaller
  - et al.
- 2022
- Digital Discovery