Language models in molecular discovery
- Nikita Janakarajan
- Tim Erdmann
- et al.
- 2023
- NeurIPS 2023
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32 results for Jannis Born
Characterizing pre-trained and task-adapted molecular representations
- Celia Cintas
- Payel Das
- et al.
- 2023
- NeurIPS 2023
Active site sequence representation of human kinases outperforms full sequence for affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2021
- NeurIPS 2021
PaccMannRL: Designing anticancer drugs from transcriptomic data via reinforcement learning
- Jannis Born
- Matteo Manica
- et al.
- 2019
- NeurIPS 2019
PaccMann: Prediction of anticancer compound sensitivity with multi-modal attention-based neural networks
- Ali Kazemi Oskooei
- Jannis Born
- et al.
- 2018
- NeurIPS 2018
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2024
- npj Computational Materials
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
MPEGO: A toolkit for multi-level performance evaluation of generative models for material discovery domains
- Girmaw Abebe Tadesse
- Jannis Born
- et al.
- 2022
- KDD 2022
AI for Drug Discovery
- Marianna Rapsomaniki
- Jannis Born
- et al.
- 2024
- AMLD EPFL 2024
Towards quantum-enabled cell-centric therapeutics
- Saugata Basu
- Jannis Born
- et al.
- 2023
- arXiv