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conda-forge/molsimplify

molsimplify

Community

A toolkit for automating discovery in inorganic chemistry

Copied fromcf-post-staging / molsimplify

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::molsimplify

Usage Tracking

1.8.0
1.7.6
1.7.5
1.7.4
1.7.3
5 / 8 versions selected
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

Jul 25, 2025 at 07:11

License

GPL-3.0-or-later

Total Downloads

130.3K

Supported Platforms

linux-64
macOS-64

Home

https://molsimplify.mit.edu

GitHub Repository

https://github.com/hjkgrp/molSimplify

Documentation

https://molsimplify.readthedocs.io/