ChemBench/.gitignore at main · IAyaanHere/ChemBench · GitHub

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# Environments
.env
.venv
env/
venv/

# Python / Auto-generated
__pycache__/
*.py[cod]
*$py.class
*.egg-info/
build/
dist/

# Datasets (Crucial to avoid GitHub size limits)
chembench/datasets/**/raw/*
chembench/datasets/**/processed/*.csv
chembench/datasets/**/processed/*.pt
chembench/datasets/**/processed/*.pkl
chembench/datasets/**/exploratory/*.png
chembench/datasets/**/exploratory/*.pdf
chembench/datasets/chemixhub_source/

# Note: Keep README.md, metadata.json, and SCHEMA.md in dataset folders!
!chembench/datasets/**/README.md
!chembench/datasets/**/processed/metadata.json
!chembench/datasets/**/processed/SCHEMA.md

# Results and Models
results/baselines/*.pth
results/baselines/*.joblib
results/baselines/*.pkl
results/evaluation/**/*.png
results/*.log

# OS generated
.DS_Store
Thumbs.db

# Frontend dependencies and builds
site/node_modules/
site/.next/
site/dist/
site/build/
site/.env.local
site/src/frontend/node_modules/
site/src/frontend/dist/