hi-chem


Namehi-chem JSON
Version 0.1.0 PyPI version JSON
download
home_pagehttps://github.com/HarmsInformatics/hi-chem
Summaryhi-chem - A template Python package for Harms Informatics
upload_time2024-03-18 01:05:05
maintainer
docs_urlNone
authorNate Harms
requires_python>=3.9
licenseMIT
keywords package development template
VCS
bugtrack_url
requirements No requirements were recorded.
Travis-CI No Travis.
coveralls test coverage No coveralls.
            # `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`.


            

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