Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2023
- ACS Spring 2023
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32 results for Jannis Born
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Regression Transformer - Blending Numerical and Textual Tokens for Concurrent Property Predicition and Conditional Generation
- 2022
- MRS Spring Meeting 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 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
Regress, Don’t Guess – A Regression-like Loss on Number Tokens for Language Models
- Jonas Zausinger
- Lars Pennig
- et al.
- 2024
- NeurIPS 2024
Learning Drug Perturbations via Conditional Map Estimators
- Benedek Harsanyi
- Marianna Rapsomaniki
- et al.
- 2024
- ICLR 2024
Quantum Theory and Application of Contextual Optimal Transport
- 2023
- NeurIPS 2023
Using Foundation Models to Promote Digitization and Reproducibility in Scientific Experimentation
- Amol Thakkar
- Andrea Giovannini
- et al.
- 2023
- NeurIPS 2023