Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2023
- ACS Spring 2023
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128 results for Teodoro Laino
Cloud-based AI-driven autonomous lab
- 2023
- APS March Meeting 2023
Disconnection Aware Steering of Retrosynthesis Transformer to Facilitate Materials Design
- Amol Thakkar
- Andrea Antonia Byekwaso
- et al.
- 2022
- MRS Fall Meeting 2022
Enzeptional—Enzyme Optimization via a Generative Language Modeling-Based Evolutionary Algorithm
- 2022
- MRS Fall Meeting 2022
Learning a Reactive Potential for Silica-Water Through Uncertainty Attribution
- Swagata Roy
- Johannes Duerholt
- et al.
- 2022
- MRS Fall Meeting 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
Identification of enzymatic active sites with unsupervised language modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2022
- MRS Spring Meeting 2022
Inferring missing molecules in incomplete chemical equations
- Alain Vaucher
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021
Low-data regime yield predictions with uncertainty estimation using deep learning approaches
- Philippe Schwaller
- Alain Vaucher
- et al.
- 2021
- ACS Fall 2021
POCSTagger: Identifying part-of-chemical-speech with transformers
- Alessandra Toniato
- Philippe Schwaller
- et al.
- 2021
- ACS Fall 2021