MolecularAI
Complete Use Case in Reinvent Community
Hi, the Complete Use Case example appears to be missing the drd2.pkl file. When I used the old drd2.pkl file (from a download from a few days ago), the file raised an error, ModuleNotFoundError: No module named 'sklearn.ensemble.forest'. I believe this is because sklearn changed the name of this model to sklearn.ensemble._forest. Can you please provide an updated drd2.pkl file that works with the Use Case Example? Thanks.
Hi, thanks for reporting this. The file has been moved to:
https://github.com/MolecularAI/ReinventCommunity/tree/master/notebooks/models
@GuoJeff could you please update this example:
https://github.com/MolecularAI/ReinventCommunity/blob/master/notebooks/Complete_Use-Case-DRD2_Demo.ipynb
it points to /data/drd2.pkl instead of pointing to /models/drd2.pkl
Hi @dd1github,
I have changed the path and re-uploaded the previously corrupt drd2.pkl model.
Thanks, but this still does not work.
It still returns the same error
Exception: The loaded file .../drd2.pkl isn't a valid scikit-learn model
I believe that the drd2 file was created in an old version of scikit learn and therefore does not work.
Best, Damien
On Wed, Sep 29, 2021 at 7:14 PM patronov @.***> wrote:
Hi, thanks for reporting this. The file has been moved to:
https://github.com/MolecularAI/ReinventCommunity/tree/master/notebooks/models @GuoJeff https://github.com/GuoJeff could you please update this example:
https://github.com/MolecularAI/ReinventCommunity/blob/master/notebooks/Complete_Use-Case-DRD2_Demo.ipynb it points to /data/drd2.pkl instead of pointing to /models/drd2.pkl
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I am using 0.24.2
Best, Damien
On Sun, Oct 3, 2021 at 6:36 PM patronov @.***> wrote:
Which version of scikit are you using? Is it scikit-learn=0.21.3 ?
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Current models are compatible with up to 0.21.3 They wont work with newer versions.
In the future we will aim to become compatible with the recently released v 1.0 of scikit-learn but this may require to adapt to potential changes of the interface. Havent had the chance to review it yet.
Best,
Atanas