Guiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
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80 results for Matteo Manica
Molecular transformer-aided biocatalysed synthesis planning
- Daniel Probst
- Matteo Manica
- et al.
- 2022
- ACS Spring 2022
Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual Tokens
- 2022
- ICLR 2022
Understood in translation: transformers for domain understanding
- 2021
- AAAI 2021
Pre-training Protein Language Models with Label-Agnostic Binding Pairs Enhances Performance in Downstream Tasks
- Modestas Filipavicius
- Matteo Manica
- et al.
- 2020
- NeurIPS 2020
PaccMannRL on SARS-CoV-2: Designing antiviral candidates with conditional generative models
- Jannis Born
- Matteo Manica
- et al.
- 2020
- ICML 2020
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023
PGT: a prompt based generative transformer for the patent domain
- Dimitrios Christofidellis
- Antonio Berrios Torres
- et al.
- 2022
- ICML 2022
Identification of Enzymatic Active Sites with Unsupervised Language Modelling
- Loic Kwate Dassi
- Matteo Manica
- et al.
- 2021
- NeurIPS 2021