Esben Jannik Bjerrum

Results 4 repositories owned by Esben Jannik Bjerrum

Deep-Chemometrics

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Using deep learning approaches and convolutional neural networks (CNN) for spectroscopical data (deep chemometrics)

molvecgen

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Molecular vectorization and batch generation

rdeditor

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Simple RDKit molecule editor GUI using PySide

SMILES-enumeration

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SMILES enumeration for QSAR modelling using LSTM recurrent neural networks