├── .gitignore ├── .gitmodules ├── .pre-commit-config.yaml ├── LICENSE ├── README.md ├── assets └── model_diag.jpg ├── configs ├── benchmark │ ├── checkpoint │ │ └── escaip_tot_sm.yaml │ ├── cluster │ │ ├── fair_cluster.yaml │ │ └── fair_local.yaml │ ├── oc20-s2ef-id.yaml │ └── oc20-s2ef-ood-both.yaml └── training │ ├── backbone │ ├── H1024L8.yaml │ ├── H512L10.yaml │ └── H640L10.yaml │ ├── cluster │ ├── fair_cluster.yaml │ └── fair_local.yaml │ ├── dataset │ ├── fair_cluster_mptrj.yaml │ ├── fair_cluster_oc20.yaml │ └── fair_cluster_spice.yaml │ ├── element_refs │ ├── mptrj_lin_refs.yaml │ ├── spice_lin_refs.yaml │ └── uma_v1_hof_lin_refs.yaml │ ├── mptrj_direct_escaip_fair.yml │ ├── mptrj_finetune_escaip_fair.yml │ ├── oc20_direct_escaip_fair.yml │ ├── oc20_direct_escaip_fair_sm.yml │ ├── spice_grad_escaip_fair.yml │ └── tasks │ ├── mptrj_direct.yaml │ ├── mptrj_grad.yaml │ ├── oc20_direct.yaml │ ├── spice_direct.yaml │ └── spice_grad.yaml ├── main.py ├── model_architecture.md ├── simulate.py ├── src ├── EScAIP.py ├── __init__.py ├── configs.py ├── custom_types.py ├── modules │ ├── __init__.py │ ├── base_block.py │ ├── graph_attention_block.py │ ├── input_block.py │ ├── output_block.py │ └── readout_block.py └── utils │ ├── data_preprocess.py │ ├── graph_utils.py │ ├── nn_utils.py │ ├── radius_graph.py │ ├── smearing.py │ └── stochastic_depth.py └── start_exp.py /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ASK-Berkeley/EScAIP/HEAD/.gitignore -------------------------------------------------------------------------------- /.gitmodules: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/ASK-Berkeley/EScAIP/HEAD/.gitmodules -------------------------------------------------------------------------------- /.pre-commit-config.yaml: -------------------------------------------------------------------------------- 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