GOOD.utils

This module contains various utilities, such as a component register, an argument parser, a configuration reader, and a metric object.

Modules

GOOD.utils.args

An important module that is used to define all arguments for both argument container and configuration container.

GOOD.utils.config_reader

A project configuration module that reads config argument from a file; set automatic generated arguments; and overwrite configuration arguments by command arguments.

GOOD.utils.data

Some data process utils including construction of molecule PyG graph from smile (for compatibility).

GOOD.utils.evaluation

Evaluation: model evaluation functions.

GOOD.utils.fast_pytorch_kmeans

copyfrom: https://github.com/DeMoriarty/fast_pytorch_kmeans

GOOD.utils.graph_visualize

Matplotlib utils for graph plots.

GOOD.utils.initial

Initial process for fixing all possible random seed.

GOOD.utils.logger

A logger related utils file: tqdm style, logger loader.

GOOD.utils.metric

A metric function module that is consist of a Metric class which incorporate many score and loss functions.

GOOD.utils.register

A kernel module that contains a global register for unified model, dataset, and OOD algorithms access.

GOOD.utils.synthetic_data

Utilities for generating certain graph shapes.

GOOD.utils.train

Training utils.