| _target_: mattergen.common.data.datamodule.CrystDataModule |
| _recursive_: true |
| properties: [] |
|
|
| transforms: |
| - _target_: mattergen.common.data.transform.symmetrize_lattice |
| _partial_: true |
| - _target_: mattergen.common.data.transform.set_chemical_system_string |
| _partial_: true |
|
|
| dataset_transforms: |
| - _target_: mattergen.common.data.dataset_transform.filter_sparse_properties |
| _partial_: true |
|
|
| |
| average_density: 0.061705096895101764 |
| root_dir: ${oc.env:PROJECT_ROOT}/../datasets/cache/mp_40 |
|
|
| train_dataset: |
| _target_: mattergen.common.data.dataset.CrystalDataset.from_cache_path |
| cache_path: ${data_module.root_dir}/train |
| properties: ${data_module.properties} |
| transforms: ${data_module.transforms} |
| dataset_transforms: ${data_module.dataset_transforms} |
|
|
| val_dataset: |
| _target_: mattergen.common.data.dataset.CrystalDataset.from_cache_path |
| cache_path: ${data_module.root_dir}/val |
| properties: ${data_module.properties} |
| transforms: ${data_module.transforms} |
| dataset_transforms: ${data_module.dataset_transforms} |
|
|
| test_dataset: |
| _target_: mattergen.common.data.dataset.CrystalDataset.from_cache_path |
| cache_path: ${data_module.root_dir}/test |
| properties: ${data_module.properties} |
| transforms: ${data_module.transforms} |
| dataset_transforms: ${data_module.dataset_transforms} |
|
|
| num_workers: |
| train: 8 |
| val: 4 |
| test: 4 |
|
|
| batch_size: |
| train: ${eval:'(512 // ${trainer.accumulate_grad_batches}) // (${trainer.devices} * ${trainer.num_nodes})'} |
| val: ${eval:'(64 // (${trainer.devices} * ${trainer.num_nodes}))'} |
| test: ${eval:'(64 // (${trainer.devices} * ${trainer.num_nodes}))'} |
|
|
| max_epochs: 900 |
|
|
