STAR-VAE: Latent Variable Transformers for Scalable and Controllable Molecular GenerationBc KwonBen Shapiraet al.2026AAAI 2026
Evaluation of partitioning algorithms for trustworthy out-of-distribution evaluation of machine learning models in biochemistryRaúl Fernández DíazLam Thanh Hoanget al.2025VIBE 2025
Language Model Enabled Structure Prediction from Infrared Spectra of MixturesMarvin AlbertsFilippo Ficarraet al.2025NeurIPS 2025
Automated Structure Elucidation at Human-Level Accuracy via a Multimodal Multitask Language ModelMarvin AlbertsNina Hartrampfet al.2025NeurIPS 2025
Toward a Coherent Virtual Cell Model: Probing Biological World-Model Coherence in Transcriptomic Foundation ModelsNoa MorielYishai Shimoniet al.2025NeurIPS 2025
A foundation model with multi-variate parallel attention to generate neuronal activityFrancesco CarzanigaMichael Herscheet al.2025NeurIPS 2025
Accelerating Material Discovery for Metal Organic Frameworks using Large Language ModelsSultan AlrowiliMathan Kumar Eswaranet al.2025NeurIPS 2025
Unclonable fluorescent tags produced on bioplastics by in-situ electron beam irradiationS. Calderon VL.F. Ballesteroset al.2025Mater. Today Nano
How to build machine learning models able to extrapolate from standard to modified peptidesRaúl Fernández DíazRodrigo Ochoaet al.2025Journal of Cheminformatics