Comments (2)
Hi, ChEMBL-V29 is now released in 0.3.5. You can load it via:
from tdc.generation import MolGen
data = MolGen(name = 'ChEMBL_V29')
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Hi Alan, thank you for raising this important point. We have a repo that tracks the preprocessing scripts for the majority of the datasets: https://github.com/kexinhuang12345/data_process however it is not cleaned up yet. I think it is important to make sure the data provenance is good and we would work towards that by linking to these processing scripts in the website.
As for the ChEMBL, unfortunately, the processing script seems to be missing. To address that, we plan to release the most up to date ChEMBL version in the coming release and document the chembl version on the website. If you have already used the current data, for now, you could call it TDC version to make things clear. Hope this helps!
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Related Issues (20)
- Why the data in TDC is less than the original paper? HOT 1
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- bug in loading scPerturb datasets HOT 3
- Support augmentation of single-cell datasets via label projection
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- Add data loader for cisTarget database HOT 1
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