v0.10.1

[0.10.1]

Added

• experimental SevenNetAtomsDataset which is memory efficient, can be enabled with dataset_type='atoms'
• Save meta data & statistics when the SevenNetGraphDataset saves its data.

Changed

• Save checkpoint_0.pth (model before any training)
• SevenNetGraphDataset._file_to_graph_list -> SevenNetGraphDataset.file_to_graph_list
• Refactoring SevenNetGraphDataset, skips computing statistics if it is loaded, more detailed logging
• Prefer use .get when accessing config dict

Fixed

• Fix error when loading SevenNetGraphDataset with other types of data (ex: extxyz) in one dataset

Full Changelog: v0.10.0...v0.10.1

What's Changed

• chore: update dependencies (PyG >= 2.5.0) by @YutackPark in #110
• v0.10.1 by @YutackPark in #112
• docs: update torch version by @YutackPark in #116
• refactor: file not found error + warnings for graph dataset by @YutackPark in #119
• merge main by @YutackPark in #122
• refactor: please use get by @YutackPark in #121