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Add Gaussian noise 3D transform and augmentation - #50
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tonyzamyatin wants to merge 23 commits into
Open
tonyzamyatin wants to merge 23 commits into
tonyzamyatin wants to merge 23 commits into
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- Update DimeNet model implementation in `dimenet.py` to use new embed() method. - Add DimeReaction - Update 3d representation to also use reactant xyz file - Updated imports and config files after renaming - Deleted the optimal model configuration file for DimeNet++
…taset to data module; Add support for multiple test loaders
…taset props at runtime
…improve logging for training and validation steps
- Add `data_module` config file - Updat data loading configurations to use `dataloader_factory` instead of `dataloader` for consistency across YAML files. - Add Hydra configuration to disable automatic logging and set output directory to the current directory for all benchmark models. - Introduce a new configuration file for `dimereaction` model
tonyzamyatin
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May 12, 2026 18:17
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