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README.md

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@@ -428,6 +428,7 @@ rm final_raw_casp_capri.tar.gz final_processed_casp_capri.tar.gz
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Navigate to the project directory and run the training script with the parameters desired:
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```bash
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# Hint: Run `python3 lit_model_train.py --help` to see all available CLI arguments
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cd project
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python3 lit_model_train.py --lr 1e-3 --weight_decay 1e-2
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cd ..
@@ -452,6 +453,7 @@ Navigate to the project directory and run the prediction script
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with the filenames of the left and right PDB chains.
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```bash
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# Hint: Run `python3 lit_model_predict.py --help` to see all available CLI arguments
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cd project
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python3 lit_model_predict.py --left_pdb_filepath "$DI_DIR"/project/test_data/4heq_l_u.pdb --right_pdb_filepath "$DI_DIR"/project/test_data/4heq_r_u.pdb --ckpt_dir "$DI_DIR"/project/checkpoints --ckpt_name LitGINI-GeoTran-DilResNet.ckpt --hhsuite_db ~/Data/Databases/bfd/bfd_metaclust_clu_complete_id30_c90_final_seq.sorted_opt
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cd ..

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