.gitignore

# Temporary and binary files
*~
*.py[cod]
*.so
*.cfg
!.isort.cfg
!setup.cfg
*.orig
*.log
*.pot
__pycache__/*
.cache/*
.*.swp
*/.ipynb_checkpoints/*
.DS_Store

# Project files
.ropeproject
.project
.pydevproject
.settings
.idea
.vscode
tags

# Package files
*.egg
*.eggs/
.installed.cfg
*.egg-info

# Unittest and coverage
htmlcov/*
.coverage
.coverage.*
.tox
junit*.xml
coverage.xml
.pytest_cache/

# Build and docs folder/files
build/*
dist/*
sdist/*
docs/api/*
docs/_rst/*
docs/_build/*
cover/*
MANIFEST

# Per-project virtualenvs
.venv*/
.conda*/
.python-version
scripts/particle_packing/my_secrets.py
notebooks/particle_packing/my_secrets.py
reports/~WRL1838.tmp
scripts/crabnet_hyperparameter/my_secrets.py
**/my_secrets.json
**/my_secrets.py
**/secrets.py
notebooks/particle_packing/sobol_reg_fba_time_s.pkl
notebooks/particle_packing/spf_fba_isna_prob.pkl
reports/particle_packing/~$tainbrief.docx
figures/lc_data/UnnamedModel_lc.csv
reports/particle_packing/Datainbrief-backup.docx
reports/crabnet_hyperparameter/Datainbrief-chemrxiv-rev1.docx
reports/particle_packing/DIB-D-23-00033.pdf
notebooks/crabnet_hyperparameter/figures/lc_data/UnnamedModel_lc.csv
notebooks/crabnet_hyperparameter/models/trained_models/UnnamedModel.pth