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  1. Public Python API client for the ATB API.

    Python 1 1

  2. Combinatorial, graph-based fragment capping algorithm.

    Python 2 1

  3. Wrapper around graph_tool for interacting with molecular graphs.

    Python 1

  4. Various chemistry related helpers.

    Python 1

  5. Generalised description of torsion (dihedral) fragments in a molecule.

    Python 2

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

    Python 1 1

735 contributions in the last year

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Contribution activity

February 2021

110 contributions in private repositories Feb 1 – Feb 24

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