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q-bio.QM2026
PyOMES: an open-source framework for biochemical process modelling
Ethan Errington, Tom Vinestock, Jaewook Lee +1
PyOMES is a Python-based, Open-source Modelling Environment for (bio)chemical process Simulation that aims to simplify the modelling of dynamic (including steady state) processes.…
q-bio.QM2025
Comparison of Optimised Geometric Deep Learning Architectures, over Varying Toxicological Assay Data Environments
Alexander D. Kalian, Lennart Otte, Jaewook Lee +6
Geometric deep learning is an emerging technique in Artificial Intelligence (AI) driven cheminformatics, however the unique implications of different Graph Neural Network (GNN) arc…