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jparkhill / TensorMol

Tensorflow + Molecules = TensorMol
http://blogs.nd.edu/parkhillgroup
GNU General Public License v3.0
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Fixing some headers and samples #29

Closed PaoloBenigni closed 6 years ago

PaoloBenigni commented 6 years ago

I went ahead and tried going through the samples and the code to fix incorrect headers.

jparkhill commented 6 years ago

A lot of these tests were random ephemera from old projects and should be removed. The only one I suggest you look at closely are the test_chemspider files.