Combining high-quality, humanly curated data with language models: the dawn of on-demand machine learning models for digital chemistry
- Alain Vaucher
- Fiona Shortt de Hernandez
- et al.
- 2022
- ACS Fall 2022
Publications
137 results for Teodoro Laino
Bridging the gap between rule-based expert systems and machine learning in computer-aided retrosynthetic design
- Daniel Probst
- Anastasia Sveshnikova
- et al.
- 2022
- ACS Fall 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
Large scale density estimation with polynomial expansions and Johnson-Lindenstrauss transformations
- Aleksandros Sobczyk
- Teodoro Laino
- et al.
- 2022
- ACS Fall 2022
Prediction of Phase Diagrams and Associated Phase Structural Properties
- Federico Zipoli
- Victor Viterbo
- et al.
- 2022
- Ind. Eng. Chem. Res.
Identification of Enzymatic Active Sites with Unsupervised Language Modeling
- Matteo Manica
- Loic Kwate Dassi
- et al.
- 2022
- ISGC 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- MRS Spring Meeting 2022
Accelerating materials discovery using artificial intelligence, high performance computing and robotics
- Edward O. Pyzer-Knapp
- Jed W. Pitera
- et al.
- 2022
- npj Computational Materials
Learning from literature-extracted synthesis actions for organic synthesis
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2022
- AMLD EPFL 2022