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cs.LG2026
path_boost: A Python Package for Interpretable Graph-Level Prediction using Path-Based Gradient Boosting
Claudio Meggio, Johan Pensar, Riccardo De Bin
We present path_boost, a Python package for interpretable supervised learning on graph-structured input data. The package implements PathBoost, a gradient boosting algorithm that a…
physics.chem-ph2026
tmQM-RDF Dataset: a Knowledge Graph Representing Transition Metal Complexes
Luca Cibinel, Trond Linjordet, Johan Pensar +3
Transition Metal Complexes (TMCs) have wide-ranging practical utility in chemistry, with possible applications that range from catalysis to medicinal chemistry. The study of TMCs a…