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Ish: Molecular-Property Prediction with Sparsity
Scikit-learn: Machine Learning in Python
Fabián Pedregosa, Gaël Varoquaux, Alexandre Gramfort +16
Preprint201216 iqtibosABIMoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu, Bharath Ramsundar, Evan N. Feinberg +5
Maqola20178 iqtibosABIAnalyzing Learned Molecular Representations for Property Prediction
Kevin Yang, Kyle L. Swanson, Wengong Jin +12
Preprint20193 iqtibosABI