Random Forest with 1024-bit ECFP2 on BACE

deepchem / moleculenet

Moleculenet.ai Datasets And Splits

MIT License

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Random Forest with 1024-bit ECFP2 on BACE #14

Closed mufeili closed 3 years ago

mufeili commented 3 years ago

@rbharath I want to use this PR to figure out what a submission should look like. The PR is for a submission of random forest with 1024-bit ECFP2 on BACE. It includes:

An entry for the submission in the leaderboard
A script for training and hyperparameter search as well as a README file for the script. I want to reuse the script as much as possible across models and datasets.

mufeili commented 3 years ago

Regarding github pages, I guess you can create a repo under "deepchem" following the instructions here?

mufeili commented 3 years ago

Does yapf use 2-space indent by default? I tried

pip install yapf==0.22.0
yapf -i -r examples

which will use 4-space indent for the scripts.

rbharath commented 3 years ago

Ah you probably need to modify setup.cfg as we do in DeepChem to specify Google style:

https://github.com/deepchem/deepchem/blob/master/setup.cfg#L26

mufeili commented 3 years ago

Ah you probably need to modify setup.cfg as we do in DeepChem to specify Google style:

https://github.com/deepchem/deepchem/blob/master/setup.cfg#L26

Added setup.cfg and the scripts shall now use 2-space indent. If you are good with it, you can go ahead to merge the PR.

rbharath commented 3 years ago

Looks great! Thanks for the fixes :)