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FreeSolv database is wrong #3682
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It's possible the deepchem version may be pre-normalized. We should check by plotting the distributions. CC @ARY2260 |
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馃悰 Bug
The dataset used to load the FreeSolv database is not correct.
To Reproduce
Steps to reproduce the behavior:
https://deepchemdata.s3.us-west-1.amazonaws.com/datasets/freesolv.csv.gz
https://github.com/MobleyLab/FreeSolv/blob/master/database.txt
Expected behavior
Match reference.
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