import os TEST_INPUT_DIR = None TEST_OUTPUT_DIR = None THIS_FILE_DIR = os.path.dirname(os.path.abspath(__file__)) MODEL_NAME_TO_CKPT = { "DockFormer-Screen": os.path.join(THIS_FILE_DIR, "resources", "dockformer_screen_102-110250.ckpt"), "DockFormer-PDBBind": os.path.join(THIS_FILE_DIR, "resources", "dockformer_pdbbind_95-108500.ckpt"), "DockFormer-PLINDER": os.path.join(THIS_FILE_DIR, "resources", "dockformer_plinder_132-98000.ckpt"), } RUN_CONFIG_PATH = os.path.join(THIS_FILE_DIR, "resources", "run_config.json") OUTPUT_PROT_PATH = os.path.join(THIS_FILE_DIR, "predicted_protein_out.pdb") OUTPUT_LIG_PATH = os.path.join(THIS_FILE_DIR, "predicted_lig_out.sdf")