AI for Drug Discovery: Machine Learning, Deep Learning and Graph Neural Networks

Apply machine learning throughout drug discovery, from biological target identification to molecular screening. The workshop explains model design, training, evaluation and prediction interpretation, then develops deep-learning and graph-neural-network methods in PyTorch. Practical work turns molecular and omics data into model inputs, implements a graph model from a scientific paper, and examines disease classification and target discovery. The final day builds pipelines from research databases and introduces language-model fine-tuning using biological data.

Live online, 30 November–3 December, 14:00–19:00 Europe/Berlin (CET). Fee €480. Aimed at MSc/PhD students and early-career scientists, with basic Python, molecular biology, chemistry and data-analysis knowledge. Previous machine-learning experience is unnecessary.