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Due to the broken change of python extension in vscode, we have to reset linter and formatter used in this project.
Ruff is both a linter and formatter, providing an all-in-one solutions with surprising performance(see here1 and here2). Ruff replaces prospector, and it has also isort functionalities.
Inspired by @CunliangGeng
Trainer
andDeeprankDataset
logic for production testing #515, feature: separate max edge distance from interaction radius throughout #504, refactor: unify buildgraph.py andbuild_graph
functions for atom and residue level graphs #507mypy
as a complement to Ruff (for typing rules).