Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- MRS Fall Meeting 2022
Publications
32 results for Jannis Born
Regression transformer: Concurrent property prediction and conditional molecular generation
- 2022
- ACS Fall 2022
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Comparing active site sequence representations for kinase-ligand affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Fall 2022
Guiding multistep retrosynthesis planning with continuous pathway representations
- Jannis Born
- Matteo Manica
- et al.
- 2022
- ACS Fall 2022
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
Regression Transformer - Blending Numerical and Textual Tokens for Concurrent Property Predicition and Conditional Generation
- 2022
- MRS Spring Meeting 2022
Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual Tokens
- 2022
- ICLR 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
Active site sequence representation of human kinases outperforms full sequence for affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2021
- NeurIPS 2021