Characterizing peptoid sidechain chemistry to control 3D conformation

Melanie T. Huynh, Orion Dollar, Nisarg Joshi, Sarah Alamdari, and Jim Pfaendtner

A Jupyter Notebook to reproduce molecular descriptor data for the surveying of helical peptoids.

Name		Name	Last commit message	Last commit date
Latest commit History 12 Commits
.ipynb_checkpoints		.ipynb_checkpoints
__pycache__		__pycache__
data		data
.gitattributes		.gitattributes
README.md		README.md
chiral_smiles.smi		chiral_smiles.smi
chiralizer.py		chiralizer.py
fpscores.pkl.gz		fpscores.pkl.gz
methyl_smiles.smi		methyl_smiles.smi
sascorer.py		sascorer.py
sidechain_smiles.smi		sidechain_smiles.smi
smiles_props.ipynb		smiles_props.ipynb

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