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theicechol
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metamoles
UW-DIRECT Project on metabolite retrosynthetic analysis
MIT License
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#9
Closed
theicechol
closed
5 years ago
theicechol
commented
5 years ago
[x] Complete PubChem client @elliej3
[x] Vectorize enzyme class @ymhwang414
[x] Integrate RDKit distance @philipjleung
[x] Integrate RDKit compound information @theicechol
[x] Set up negative data @blasks
[x] Pull code into .py file @ymhwang414
[x] Clean code
[x] ML framework (log reg, svm) @elliej3
[x] Validation framework
[x] add unit test for all .py files @ymhwang414 @philipjleung @blasks @elliej3 @theicechol