Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- 2022
- ACS Fall 2022
Publications
This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.
15 results for Jannis Born
Regression transformer: Concurrent property prediction and conditional molecular generation
- 2022
- ACS Fall 2022
Comparing active site sequence representations for kinase-ligand affinity prediction
- 2022
- ACS Fall 2022
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- 2023
- ACS Spring 2023
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- 2023
- ACS Spring 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- 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
- 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
- 2022
- ACS Spring 2022
Regression Transformer: Concurrent Conditional Generation and Regression by Blending Numerical and Textual Tokens
- 2022
- ICLR 2022