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dataset - Is there a way to convert smiles format to TUdataset

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PDF) Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction

Metapath-fused heterogeneous graph network for molecular property prediction - ScienceDirect

pytorch_geometric/CHANGELOG.md at master · pyg-team/pytorch_geometric · GitHub

dataset - Is there a way to convert smiles format to TUdataset format? - Stack Overflow

How to convert bundle SMILES to .sdf file format #Molecular_Docking #ChemistryStudio

Graph neural networks for materials science and chemistry

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sdftosmi.py: Convert multiple ligands/compounds in SDF format to SMILES. — Bioinformatics Review

sdftosmi.py: Convert multiple ligands/compounds in SDF format to SMILES. — Bioinformatics Review

PDF) Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction

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Metapath-fused heterogeneous graph network for molecular property prediction - ScienceDirect