env_consts.py

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")