Quantum Theory and Application of Contextual Optimal Transport
- Nicola Mariella
- Albert Akhriev
- et al.
- 2024
- ICML 2024
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32 results for Jannis Born
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- ICML 2023
Accelerating Material Design with the Generative Toolkit for Scientific Discovery (GT4SD)
- Matteo Manica
- Joris Cadow
- et al.
- 2022
- ACS Fall 2022
Regression transformer: Concurrent property prediction and conditional molecular generation
- 2022
- ACS Fall 2022
Comparing active site sequence representations for kinase-ligand affinity prediction
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Fall 2022
Using Domain Specific Languages to Enable Artificial Intelligence for Polymer and Catalyst Design
- 2024
- MRS Spring Meeting 2024
Lab automation, data modeling, and AI agents for accelerated catalyst discovery
- 2023
- ACS Fall 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- MRS Spring Meeting 2023
Growing Strings in a Chemical Reaction Space for Searching Retrosynthesis Pathways
- 2023
- MRS Spring Meeting 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- Dimitrios Christofidellis
- Giorgio Giannone
- et al.
- 2023
- ACS Spring 2023