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  • The University of Queensland
  • Brisbane (Australia)

Pinned repositories

  1. atb_api_public

    Public Python API client for the ATB API.

    Python 1

  2. fragment_capping

    Combinatorial, graph-based fragment capping algorithm.

    Python 2

  3. chem_graph_tool

    Wrapper around graph_tool for interacting with molecular graphs.


  4. chemistry_helpers

    Various chemistry related helpers.


  5. dihedral_fragments

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


  6. fourier_series_fit

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

    Python 1

491 contributions in the last year

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Contribution activity

September 2018

8 contributions in private repositories Sep 3 – Sep 12

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