rdkit-picalculax

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RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. This is a patched distribution to support pICalculax.

Versions

Installation

To install this package, run one of the following:

Conda

$conda install agresearch::rdkit-picalculax

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About

Summary

RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. This is a patched distribution to support pICalculax.

Last Updated

Sep 26, 2019 at 01:24

License

BSD

Supported Platforms

linux-64

Home

https://github.com/rdkit