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1. GT4SD/gt4sd-core GT4SD/gt4sd-core Public

   GT4SD, an open-source library to accelerate hypothesis generation in the scientific discovery process.

   Jupyter Notebook 340 74

2. PaccMann/paccmann_datasets PaccMann/paccmann_datasets Public

   pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/

   Python 28 7

3. IBM/depiction IBM/depiction Public

   interpret deep learning models in a framework-independent fashion

   Jupyter Notebook 41 21

4. PaccMann/paccmann_sarscov2 PaccMann/paccmann_sarscov2 Public

   Code for paper on automation of discovery and synthesis of targeted molecules: https://iopscience.iop.org/article/10.1088/2632-2153/abe808

   19 6

5. drugilsberg/interact drugilsberg/interact Public

   Implementation of the INtERAcT algorithm

   Python 40 7

6. IBM/mimkl IBM/mimkl Public archive

   Matrix-Induced Multiple Kernel Learning

   C++ 29 10