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Remove openeye testing dependence #91

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jthorton opened this issue Jan 18, 2021 · 0 comments

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jthorton commented Jan 18, 2021

Currently, many of the tests will fail if openeye is not installed. This can be changed by reducing the reliance on openeye in testing.

Change molecule files to sdf format so they can be read using rdkit
make the workflow components fail gracefully if a backend toolkit is not installed
allow tests to skip if a toolkit is not installed

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