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
Paper
Publications
25 results for Philippe Schwaller
Balancing computational chemistry's potential with its environmental impact
- Oliver Schilter
- Philippe Schwaller
- et al.
- 2024
- Green Chemistry
ReviewCompletion of partial chemical equations
- Federico Zipoli
- Zeineb Ayadi
- et al.
- 2024
- Machine Learning: Science and Tech.
PaperAugmenting large language models with chemistry tools
- Andres M. Bran
- Sam Cox
- et al.
- 2024
- Nature Machine Intelligence
PaperCMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard
- Oliver Tobias Schilter
- Teodoro Laino
- et al.
- 2024
- Appl. AI Lett.
PaperFueling the Digital Chemistry Revolution with Language Models
- Antonio Cardinale
- Alessandro Castrogiovanni
- et al.
- 2023
- Chimia
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
PaperEnhancing diversity in language based models for single-step retrosynthesis
- Alessandra Toniato
- Alain C. Vaucher
- et al.
- 2023
- Digital Discovery
PaperSELFIES and the future of molecular string representations
- Mario Krenn
- Qianxiang Ai
- et al.
- 2022
- Patterns
ReviewReaction classification and yield prediction using the differential reaction fingerprint DRFP
- Daniel Probst
- Philippe Schwaller
- et al.
- 2022
- Digital Discovery
Paper