mirror of
https://github.com/gcorso/DiffDock.git
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167 lines
2.0 KiB
Plaintext
167 lines
2.0 KiB
Plaintext
homework
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inference_out_dir_not_specified
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.plotly_cache
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.DS_store
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renew.sh
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tmux_renew.sh
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images
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# Byte-compiled / optimized / DLL files
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__pycache__/
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*.py[cod]
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*$py.class
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# C extensions
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*.so
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.so3_*
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# Distribution / packaging
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.Python
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build/
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develop-eggs/
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dist/
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downloads/
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eggs/
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.eggs/
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lib/
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lib64/
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parts/
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sdist/
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var/
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wheels/
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*.egg-info/
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.installed.cfg
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*.egg
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MANIFEST
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# PyInstaller
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# Usually these files are written by a python script from a template
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# before PyInstaller builds the exe, so as to inject date/other infos into it.
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*.manifest
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*.spec
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# Installer logs
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pip-log.txt
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pip-delete-this-directory.txt
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# Unit test / coverage reports
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htmlcov/
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.tox/
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.coverage
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.coverage.*
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.cache
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nosetests.xml
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coverage.xml
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*.cover
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.hypothesis/
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.pytest_cache/
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# Translations
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*.mo
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*.pot
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# Django stuff:
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*.log
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local_settings.py
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db.sqlite3
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# Flask stuff:
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instance/
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.webassets-cache
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# Scrapy stuff:
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.scrapy
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# Sphinx documentation
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docs/_build/
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# PyBuilder
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target/
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# Jupyter Notebook
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.ipynb_checkpoints
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# pyenv
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.python-version
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# celery beat schedule file
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celerybeat-schedule
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# SageMath parsed files
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*.sage.py
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# Environments
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.env
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.venv
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env/
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venv/
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ENV/
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env.bak/
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venv.bak/
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# Spyder project settings
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.spyderproject
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.spyproject
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# Rope project settings
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.ropeproject
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# mkdocs documentation
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/site
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# mypy
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.mypy_cache/
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local_config_inference2.yml
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.vscode/
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*.zip
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.idea/
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#################### Project specific
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.p.npy
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.score.npy
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# this ignores everything in data except for the file
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!/data
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/data/*
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!/data/splits
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!/data/protein_ligand_example_csv.csv
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!/data/testset_csv.csv
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!/data/INDEX_general_PL_data.2020
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test_run
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cache
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wandb
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logs
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# temporary files
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.openbabel_cache
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temp/
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bsub*
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stderr*
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stdout*
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!/workdir
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/workdir/*
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!/workdir/paper_confidence_model
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!/workdir/paper_score_model
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runs2
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results
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# this excludes everything in the runs directory except for that specific run
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!/runs
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/runs/*
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!/runs/rigid_redocking
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!/runs/flexible_self_docking
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local_config.yml
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local_config_inference.yml
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local_config_confidence.yml
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temp1.py
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temp5.py
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temp3.py
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temp4.py
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temp5.py
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temp6.py
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temp7.py
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esm
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