rdkit-step 2023.2.22

A SEAMM plugin for A SEAMM plug-in for RDKit

SEAMM RDKit Plug-in

A SEAMM plug-in for RDKit

• Free software: BSD-3-Clause

• Documentation: https://molssi-seamm.github.io/rdkit_step/index.html

• Code: https://github.com/molssi-seamm/rdkit_step

Features

• Please edit this section!

Acknowledgements

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580

History

2023.2.22 – Fixed bug with dialog

• Fixed bug creating dialog, due to changes in code SEAMM code.

• Made the dialog fit most of the window to make it easier to use.

2022.1.11.1 – Initial release!

• The initial release of a SEAMM plug-in providing access the to features (descriptors) available in RDKit.

• This version fixes a minor problem with the citation of the plug-in itself.

2022.1.11 – Initial release!

2021.9.16 (2021-09-16)

• Plug-in created using the SEAMM plug-in cookiecutter.