.gitignore

# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]

# C extensions
#*.so

# Distribution / packaging
.Python
venv/
env/
bin/
build/
develop-eggs/
dist/
eggs/
lib/
lib64/
parts/
sdist/
var/
*.egg-info/
.installed.cfg
*.egg
nohup.out
# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
cover/
htmlcov/
.tox/
.coverage
.cache
nosetests.xml
coverage.xml

# Translations
*.mo

# Mr Developer
.mr.developer.cfg
.project
.pydevproject

# Rope
.ropeproject

# Django stuff:
*.log
*.pot

# Sphinx documentation
docs/_build/
# docs/html/
# IDEA
# Covers JetBrains IDEs: IntelliJ, RubyMine, PhpStorm, AppCode, PyCharm

## Directory-based project format
.idea/

# File-based project format
*.ipr
*.iws
*.iml

# Additional for IntelliJ
out/

# generated by mpeltonen/sbt-idea plugin
.idea_modules/

# generated by JIRA plugin
atlassian-ide-plugin.xml

# generated by Crashlytics plugin (for Android Studio and Intellij)
com_crashlytics_export_strings.xml

# MACOSX

.DS_Store
.AppleDouble
.LSOverride

# nohup files
.nohup.out

# Test Files
test/data/temp_results/
testworkflow/
testworkflow*

# Gromacs
\#*
mdout.mdp
traj_comp.xtc

# Jupyter notebook
*.ipynb
.ipynb_checkpoints/

# Pycharm
.idea

# VS Code
.vscode/

# MyPy
.mypy_cache/

# Pytest
.pytest_cache/