Carl Poelking

CESPED: a new benchmark for supervised particle pose estimation in Cryo-EM

Embracing assay heterogeneity with neural processes for markedly improved bioactivity predictions

A multilevel generative framework with hierarchical self-contrasting for bias control and transparency in structure-based ligand design

Open-circuit voltage of organic solar cells: interfacial roughness makes the difference

3D pride without 2D prejudice: Bias-controlled multi-level generative models for structure-based ligand design

Meaningful machine learning models and machine-learned pharmacophores from fragment screening campaigns

BenchML: an extensible pipelining framework for benchmarking representations of materials and molecules at scale

Chemical Design Rules for Non‐Fullerene Acceptors in Organic Solar Cells (Adv. Energy Mater. 44/2021)