molsimplify

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A toolkit for automating discovery in inorganic chemistry

Copied fromcf-post-staging / molsimplify

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Installation

To install this package, run one of the following:

Conda

$conda install conda-forge::molsimplify

Usage Tracking

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Downloads (Last 6 months): 0

Description

molSimplify is an open source toolkit for the automated, first-principles screening and discovery of new inorganic molecules and intermolecular complexes.

About

Summary

A toolkit for automating discovery in inorganic chemistry

Last Updated

May 12, 2026 at 19:13

License

GPL-3.0-or-later

Supported Platforms

macOS-64

linux-64

Home

https://molsimplify.mit.edu/

GitHub Repository

https://github.com/hjkgrp/molSimplify

Documentation

https://molsimplify.readthedocs.io/