2 papers
cs.CL2026
Can LLMs Reliably Annotate Bioassay Metadata to Improve Data Readiness?
Laura van Weesep, Riccardo Tedoldi, Jens Sjölund +6
The emergence of foundation models for molecular property prediction requires a high degree of AI data readiness, including reliable metadata annotation. However, both public repos…
cs.AI2026
Confidence is the key: how conformal prediction enhances the generative design of permeable peptides
Laura van Weesep, Sunay Chankeshwara, Leonardo De Maria +3
Generative models coupled with reinforcement learning (RL), such as REINVENT and PepINVENT, have emerged as a powerful framework for de novo molecular design. During the ideation p…