196 citations · 1.1k across the 20 of their papers we have counts for
4 papers · 1 filter
Language models in molecular discovery
Nikita Janakarajan, Tim Erdmann, Sarath Swaminathan +2
The success of language models, especially transformer-based architectures, has trickled into other domains giving rise to "scientific language models" that operate on small molecu…
Towards quantum-enabled cell-centric therapeutics
Saugata Basu, Jannis Born, Aritra Bose +30
In recent years, there has been tremendous progress in the development of quantum computing hardware, algorithms and services leading to the expectation that in the near future qua…
Domain-agnostic and Multi-level Evaluation of Generative Models
Girmaw Abebe Tadesse, Jannis Born, Celia Cintas +4
While the capabilities of generative models heavily improved in different domains (images, text, graphs, molecules, etc.), their evaluation metrics largely remain based on simplifi…
Unifying Molecular and Textual Representations via Multi-task Language Modelling
Dimitrios Christofidellis, Giorgio Giannone, Jannis Born +3
The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular desig…