# Data and datasets
data/
dataset/
datasets/
raw/
interim/
processed/
external/

# Results and experiment artifacts
reports/
results/
outputs/
output/
artifacts/
figures/
predictions/
failure_case_export*/
wandb/
runs/
logs/

# Models and checkpoints
models/
checkpoints/
MolE_ckpt/
*.pt
*.pth
*.ckpt
*.bin
*.safetensors
*.onnx

# Structured and serialized data
*.csv
*.tsv
*.xlsx
*.xls
*.parquet
*.feather
*.arrow
*.json
*.jsonl
*.pkl
*.pickle
*.joblib
*.npy
*.npz
*.h5
*.hdf5
*.db
*.sqlite
*.sqlite3

# Images and documents
*.png
*.jpg
*.jpeg
*.webp
*.svg
*.pdf

# Secrets
.env
.env.*
*.pem
*.key
*.crt

# Environments and caches
.venv/
venv/
env/
.pixi/
.molformer_env/
.molformer_libs/
.molformer_transformers_v5/
__pycache__/
*.py[cod]
.pytest_cache/
.mypy_cache/
.ruff_cache/
.ipynb_checkpoints/

# Logs and temporary files
*.log
*.out
*.bak
*.bak_*
*.before_*
*.tmp
*.swp
*.swo
*~
.DS_Store