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Published 20 hours ago • verified publisher icon connorcoley

Compatible with Py3?

Open athlonshi opened this issue 6 years ago • 2 comments

This is a very interesting cheminformatrics approach. I was trying to learn and use the source code. I managed to change a couple of errors reported by Python 3 and made the code running with keras 2.1.6 and theano 1.0.3. But the example cases always stopped at 10th epochs with early stopping. It did not appear the training performed correctly and the testing performance was very poor compared to what was reported in the paper. Any suggestion to make it compatible with Py3? Thanks.

athlonshi avatar Oct 30 '18 16:10 athlonshi

If anyone else is interested (it's already 2020) I pushed a (semi-)working code to https://github.com/Lamiane/conv_qsar_fast The results for TOX are similar as in the paper and it runs on python 3

Lamiane avatar Jan 27 '20 13:01 Lamiane

I also made a working version of svm_cv.py and main_cv.py for python 3. Codes are available at https://github.com/LanceKnight/conv_qsar_fast. I tested this on the De-aq dataset.

LanceKnight avatar Feb 23 '21 22:02 LanceKnight