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  1. Simple RDKit molecule editor GUI using PySide

    Python 42 12

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

    Jupyter Notebook 34 14

  3. Molecular vectorization and batch generation

    Jupyter Notebook 18 10

  4. SMILES enumeration for QSAR modelling using LSTM recurrent neural networks

    Python 90 45

12 contributions in the last year

Jun Jul Aug Sep Oct Nov Dec Jan Feb Mar Apr May Jun Mon Wed Fri

Contribution activity

June 2021

Created 2 commits in 1 repository

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