Update documentation of BasicMolGANModel #3331
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rbharath
reviewed
Apr 4, 2023
deepchem/models/molgan.py
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| @@ -141,8 +147,10 @@ def create_discriminator(self) -> keras.Model: | |||
| 1. adjacency tensor, containing bond information | |||
| 2. nodes tensor, containing atom information | |||
| The input vectors need to be in one-hot encoding format. | |||
| Use MolGAN featurizer for that purpose. It will be simplified | |||
| in the future release. | |||
| Use MolGAN featurizer for that purpose. | |||
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Can you remove the formatting changes?
deepchem/models/molgan.py
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| i.e. gan.generators[0](noise_input, training=False, sample_generation=True). | ||
| In case of training, not flag is necessary. | ||
| For training, flag "sample_generation=True" is not necessary |
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This should be reworded.
For training the model, set `sample_generation=False`
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Hi, i've made the suggested changes
rbharath
reviewed
Apr 5, 2023
deepchem/models/molgan.py
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| The format differs depending on intended use (training or sample generation). | ||
| For sample generation use flag, sample_generation=True while calling generator | ||
| The format differs depending on intended use (sample generation or training). | ||
| For sample generation, flag "sample_generation=True" to be used while calling generator |
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The original version uses active voice which is better than passive voice. Can you revert back to active voice?
deepchem/models/molgan.py
Outdated
| @@ -142,6 +144,7 @@ def create_discriminator(self) -> keras.Model: | |||
| The input vectors need to be in one-hot encoding format. | |||
| Use MolGAN featurizer for that purpose. It will be simplified | |||
| in the future release. | |||
|
|
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Can you remove this empty line?
deepchem/models/molgan.py
Outdated
| i.e. gan.generators[0](noise_input, training=False, sample_generation=True). | ||
| In case of training, not flag is necessary. | ||
| For training the model, set `sample_generation=False` | ||
|
|
There was a problem hiding this comment.
Can you remove this empty line?
|
I have made the requested changes |
|
Changes look fine now. I've set the CI to run. If everything looks fine we can merge in |
|
Hi Bharath, |
added get_noise_input_shape,get_data_input_shapes functions
This reverts commit 44b820d.
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Update documentation of BasicMolGANModel
added a line of documentation to better define the functionality of the BasicMolGANModel
Cleaned up the documentation to provide a better understanding of the model to the users
Type of change
Please check the option that is related to your PR.
Checklist
yapf -i <modified file>and check no errors (yapf version must be 0.32.0)mypy -p deepchemand check no errorsflake8 <modified file> --countand check no errorspython -m doctest <modified file>and check no errors