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.gitignore
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.gitignore
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# Pytorch saved files and associated ProteinNet files
*.pt
*_ids.txt
*.pdb
sidechain*pkl
training*pkl
validation.pkl
data/*/*.pkl
# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class
# C extensions
*.so
# Distribution / packaging
.Python
env/
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
*.egg-info/
.installed.cfg
*.egg
# PyInstaller
# Usually these files are written by a python script from a template
# before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec
# Installer logs
pip-log.txt
pip-delete-this-directory.txt
# Unit test / coverage reports
htmlcov/
.tox/
.coverage
.coverage.*
.cache
.pytest_cache
nosetests.xml
coverage.xml
*.cover
.hypothesis/
# Translations
*.mo
*.pot
# Django stuff:
*.log
local_settings.py
# Flask stuff:
instance/
.webassets-cache
# Scrapy stuff:
.scrapy
# Sphinx documentation
docs/_build/
# PyBuilder
target/
# Jupyter Notebook
.ipynb_checkpoints
# pyenv
.python-version
# celery beat schedule file
celerybeat-schedule
# SageMath parsed files
*.sage.py
# dotenv
.env
# virtualenv
.venv
venv/
ENV/
# Spyder project settings
.spyderproject
.spyproject
# Rope project settings
.ropeproject
# mkdocs documentation
/site
# mypy
.mypy_cache/
# Other custom project ignores for research code/data
errors/
*.cif
.idea/
.vscode/*
*.pdb
.DS_Store
*errors*/
*ignored/
*.dssp
*.stride
*.fa
sidechainnet/resources/proteinnet*
*sidechainnet/examples/*ipynb
sidechainnet_data
sidechainnet/resources/forcefield_info
*runtime*html
resources/dev/*
*slurm*.out
*_*.out
*wandb*
*.chkpt
sidechainnet/utils/minimize_old.py
sidechainnet/utils/openmmpdb.py
sidechainnet/research/analysis/plots
*.prof_stats*
test_minimize_alpha.png
sidechainnet/research/reconfigure_alignments/**/*.txt
sidechainnet/research/reconfigure_alignments/**/*.pkl
sidechainnet/research/evaluate_energy/**/*.csv
seq_dict.pkl
sidechainnet/research/analysis/minimization/**/*.png
sidechainnet/research/analysis/minimization/**/*.pkl
sidechainnet/research/analysis/minimization/**/*.pdb