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The benchmark should use the same random seed to split train, valid and test data #18

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shenwanxiang opened this issue Oct 27, 2019 · 1 comment

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@shenwanxiang
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As we know, the random seed in splitting the dataset has a large impact on the final performance of test set, So all of these dataset should be evaluate as same as the test set in deepchem/molnet, namely, you should split your dataset as deepchem does! not just by yourself

@wengong-jin
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wengong-jin commented Oct 27, 2019

This repo is deprecated, we did compare with molnet on EXACTLY the same train/valid/test split in our new repo here: https://github.com/swansonk14/chemprop#results

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