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awslabs / dgl-lifesci

Python package for graph neural networks in chemistry and biology
Apache License 2.0
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Inquiry Regarding Modeling Section in examples/property_prediction/csv_data_configuration/README.md #225

Open 676954172 opened 2 months ago

676954172 commented 2 months ago

Hello,

As a beginner in this field, I am referring to the examples/property_prediction/csv_data_configuration/README.md file in your repository. In the Modeling section of this README, it describes the process of converting molecular data into a molecular graph. However, I am unable to locate the specific module or code segment in the project's source code that implements this particular modeling functionality.

Could you please inform me which module or code section is responsible for the modeling steps outlined in the README?

I appreciate your time and assistance. I am truly grateful for your team's efforts on this project and look forward to understanding it more deeply.

mufeili commented 2 months ago

Thank you for your interest in our project. For the code segment that converts molecular data into a molecular graph, see https://github.com/awslabs/dgl-lifesci/blob/master/examples/property_prediction/csv_data_configuration/utils.py#L62.