Comments (1)
Thanks for the suggestion! The repo certainly has gotten a little messy as we've added more and more scripts. I just reorganized the code in roughly the structure you suggested. Please let us know how it looks and whether there's any other way we can improve it!
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Related Issues (15)
- features_only failing? HOT 3
- prediction by default picking up all models in the directory HOT 1
- Replace hard-wired features with feature factory HOT 1
- Project is listed as "HTML" project? HOT 1
- Issue with TensorboardX version 1.7
- 3D distance feature
- The benchmark should use the same random seed to split train, valid and test data HOT 1
- About this model training file
- Error while running the code HOT 1
- Input pipeline HOT 8
- predict.py AssertionError HOT 1
- BCELoss is unstable HOT 3
- generalize FunctionalGroupFeaturizer HOT 2
- adding partial charges HOT 2
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