GOOD.utils
This module contains various utilities, such as a component register, an argument parser, a configuration reader, and a metric object.
Modules
An important module that is used to define all arguments for both argument container and configuration container. |
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A project configuration module that reads config argument from a file; set automatic generated arguments; and overwrite configuration arguments by command arguments. |
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Some data process utils including construction of molecule PyG graph from smile (for compatibility). |
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Evaluation: model evaluation functions. |
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Matplotlib utils for graph plots. |
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Initial process for fixing all possible random seed. |
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A logger related utils file: tqdm style, logger loader. |
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A metric function module that is consist of a Metric class which incorporate many score and loss functions. |
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A kernel module that contains a global register for unified model, dataset, and OOD algorithms access. |
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Utilities for generating certain graph shapes. |
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Training utils. |