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Publish MolAS Active Learning AI4DD dataset and research artifacts
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# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class
# Jupyter Notebook checkpoints
*.ipynb_checkpoints/
# Virtual environment
venv/
env/
.venv/
# Data directory
dataset/
# Model files
modelweights/
# Output files and logs
*.pth
# System files
.DS_Store
# Ignore all IPython profiles except this one
profile_default/
!profile_default/ipython_config.py
# Miscellaneous
*.swp
*.swo
*.bak
lightning_logs/
point_based/
batch_evaluation_results/