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local.yaml
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local.yaml
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platform:
accel: "gpu"
cache_dir: "/nas/longleaf/home/dieckhau/protein-stability/v2_dataset_12072022/enzyme_stability_cache"
thermompnn_dir: "/nas/longleaf/home/dieckhau/ThermoMPNN/ThermoMPNN"
data_loc:
megascale_csv: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/mega_scale/Processed_K50_dG_datasets/Tsuboyama2023_Dataset2_Dataset3_20230416.csv"
megascale_splits: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/mega_scale/mega_splits.pkl"
megascale_pdbs: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/mega_scale/AlphaFold_model_PDBs/"
fireprot_csv: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/fireprot/4_fireprotDB_bestpH.csv"
fireprot_splits: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/fireprot/fireprot_splits.pkl"
fireprot_pdbs: "/nas/longleaf/home/dieckhau/protein-stability/enzyme-stability/data/fireprot/pdbs/monomers/"