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scikit-mol
scikit-mol Publicscikit-learn classes for molecular vectorization using RDKit
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Deep-Chemometrics
Deep-Chemometrics PublicUsing deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)
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SMILES-enumeration
SMILES-enumeration PublicSMILES enumeration for QSAR modelling using LSTM recurrent neural networks
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