Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2024
- npj Computational Materials
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128 results for Teodoro Laino
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- Science Advances
Mapping the space of chemical reactions using attention-based neural networks
- Philippe Schwaller
- Daniel Probst
- et al.
- 2021
- Nature Machine Intelligence
Endocyclic cleavage in glycosides with 2,3-trans cyclic protecting groups
- Hiroko Satoh
- Shino Manabe
- et al.
- 2011
- JACS
Surface-assisted cyclodehydrogenation provides a synthetic route towards easily processable and chemically tailored nanographenes
- Matthias Treier
- Carlo Antonio Pignedoli
- et al.
- 2010
- Nature Chemistry
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
Identification of Enzymatic Active Sites with Unsupervised Language Modeling
- Matteo Manica
- Loic Kwate Dassi
- et al.
- 2022
- ISGC 2022
Neural machine translation for conditional generation of novel procedures
- Joppe Geluykens
- Sandra Mitrovic
- et al.
- 2021
- HICSS 2021
First Experiences with ab initio Molecular Dynamics on OpenPOWER: The Case of CPMD
- Valery Weber
- Cristiano Malossi
- et al.
- 2016
- ISC 2016
Shedding light on lithium/air batteries using millions of threads on the BG/Q supercomputer
- Valery Weber
- Costas Bekas
- et al.
- 2014
- IPDPS 2014