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Running
import os | |
TEST_INPUT_DIR = None | |
TEST_OUTPUT_DIR = None | |
THIS_FILE_DIR = os.path.dirname(os.path.abspath(__file__)) | |
CKPT_PATH = os.path.join(THIS_FILE_DIR, "resources", "only_weights_107-187000.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") | |