Add HuggingFaceFeaturizer for molecular embeddings#118
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Joao-Cheixo wants to merge 4 commits intoBioSystemsUM:masterfrom
Open
Add HuggingFaceFeaturizer for molecular embeddings#118Joao-Cheixo wants to merge 4 commits intoBioSystemsUM:masterfrom
Joao-Cheixo wants to merge 4 commits intoBioSystemsUM:masterfrom
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Implemented a new featurizer (HuggingFaceFeaturizer) based on Hugging Face models for generating molecular embeddings from SMILES.
Integrated with DeepMol featurization pipeline.
Ensured compatibility with existing workflows.
Initial experiments performed on MoleculeNet datasets.
Further benchmarking and evaluation ongoing.