A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.

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Project description

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Reaction Data and Molecular Conformer

A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.

The package can be easily installed with conda or mamba

conda install -c xiaoruidong rdmc

For detailed APIs, please check the documentation.

Feel free to check demos in the ipython/, some of them are also available on the Google Colab:

These details have not been verified by PyPI

View statistics for this project via Libraries.io, or by using our public dataset on Google BigQuery

This version

0.1.1

Nov 6, 2023

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Uploaded Nov 6, 2023 Source

Uploaded Nov 6, 2023 Python 3

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