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1. MolOP MolOP Public

   Molecule OPerator, a molecule information extraction and operation unit

   Python 6 1

2. rdkit-dof rdkit-dof Public

   RDKit molecule drawing with Depth of Field (DOF) effects.

   Python 5

3. qm9star_query qm9star_query Public

   A SQLModel-based repository dedicated to helping users access the PostgreSQL-based qm9star database more easily in a Python environment.

   Jupyter Notebook 13 3

4. NNdioxide-asymMichael NNdioxide-asymMichael Public

   Machine learning for Chiral N,N'-dioxide in Michael Additions

   Jupyter Notebook 3 1

5. spectrum_descriptor spectrum_descriptor Public

   spectrum descriptor is a tool to extract and re-encode information from spectral image or spectral curves.

   Jupyter Notebook 1