hi-chem - A template Python package for Harms Informatics
Project description
hi-chem: H.i.'s Cheminformatic Python Package
This a package of functions and classes that I've developed over time -- hopefully it can be of some use to others! Check out my blog at harmsinformatics.org for examples and tips when using this repo.
Functionality
hi-chem currently supports the following functionality:
- SMILES canonicalization
- Low energy conformer generation
Installing
Installation is really easy, just run:
pip install hi-chem
This package will require rdkit, py3Dmol, pandas, matplotlib, and seaborn.
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