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* [ ] DeepChem [[web](http://deepchem.io) [code](https://deepchem.io/docs/deepchem.html)]
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* A powerful deep learning chemoinformatics library, containing a large number of featurizers.
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* Among the interesting featurizers, there are the PDB-crystal embeddings, which should, in principle, enable connectivity between crystals and small molecules.
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* The RDKitDescriptors featurizer is also quite interesting.
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* [X] E3FP [[paper](https://pubs.acs.org/doi/10.1021/acs.jmedchem.7b00696) [code](https://github.com/keiserlab/e3fp)]
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* Simple representations of 3D molecular structure.
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* Integrated tightly with RDKIT.
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