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1. atb_api_public atb_api_public Public

   Public Python API client for the ATB API.

   Python 1 2

2. fragment_capping fragment_capping Public

   Combinatorial, graph-based fragment capping algorithm written in Python.

   Python 3 1

3. chem_graph_tool chem_graph_tool Public

   Wrapper around graph_tool for interacting with molecular graphs.

   Python 1

4. chemistry_helpers chemistry_helpers Public

   Various chemistry related helpers.

   Python 1

5. dihedral_fragments dihedral_fragments Public

   Generalised description of torsion (dihedral) fragments in a molecule, written in Python.

   Python 2

6. fourier_series_fit fourier_series_fit Public

   Python module for fitting periodic, scalar, 1-D functions with a sum of trigonometric functions (Fourier series)

   Python 2 1