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The University of Queensland
- Brisbane (Australia)
Public Python API client for the ATB API.
Combinatorial, graph-based fragment capping algorithm.
Wrapper around graph_tool for interacting with molecular graphs.
Various chemistry related helpers.
Generalised description of torsion (dihedral) fragments in a molecule.
Python module for fitting periodic, scalar, 1-D functions with a sum of trigonometric functions (Fourier series)
491 contributions in the last year
in private repositories
Sep 3 – Sep 12
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