PolymerSphere

Repo for NeurIPS Open Polymer Prediction 2025

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
__pycache__		__pycache__
backup		backup
data		data
experiment		experiment
features		features
output		output
tools		tools
.DS_Store		.DS_Store
0_embed_monomer.py		0_embed_monomer.py
0_polymerize_100.py		0_polymerize_100.py
0_polymerize_dimer.py		0_polymerize_dimer.py
1_optimization_MMFF.py		1_optimization_MMFF.py
1_optimization_UMA.py		1_optimization_UMA.py
2_featurize.py		2_featurize.py
EDA.py		EDA.py
LICENSE		LICENSE
README.md		README.md
analyze_tail.py		analyze_tail.py

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