doohyunkwon

Pinned Repositories

smiles_streamlit
A streamlit webpage to compare two smile string 3d models
Language:Python01
morfeus
A Python package for calculating molecular features
Language:Python161 8 1427
smiles_streamlit
A streamlit webpage to compare two smile string 3d models
Language:Python0 0 00
ESNUEL
Estimating Nucleophilicity and Electrophilicity with Automated Quantum Chemistry-Based Computations of Methyl Affinities
Language:Jupyter Notebook10 1 30

doohyunkwon's Repositories

doohyunkwon/smiles_streamlit
A streamlit webpage to compare two smile string 3d models
Language:Python0 0 00