Metadata-Version: 2.2
Name: hi-chem
Version: 0.1.6
Summary: hi-chem - A template Python package for Harms Informatics
Home-page: https://github.com/HarmsInformatics/hi-chem
Author: Nate Harms
Author-email: harmsinformatics@gmail.com
License: MIT
Keywords: package development template
Classifier: Development Status :: 4 - Beta
Classifier: Intended Audience :: Developers
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.11
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy
Requires-Dist: requests
Requires-Dist: pandas
Requires-Dist: seaborn
Requires-Dist: matplotlib
Requires-Dist: typer
Requires-Dist: rdkit
Requires-Dist: py3dmol
Requires-Dist: jupyter
Requires-Dist: ipython
Requires-Dist: scikit-learn
Requires-Dist: umap-learn
Dynamic: author
Dynamic: author-email
Dynamic: classifier
Dynamic: description
Dynamic: description-content-type
Dynamic: home-page
Dynamic: keywords
Dynamic: license
Dynamic: requires-dist
Dynamic: requires-python
Dynamic: summary

# `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](https://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:
```angular2html
pip install hi-chem
```

This package will require `rdkit`, `py3Dmol`, `pandas`, `matplotlib`, and `seaborn`.

