Published June 20, 2026
| Version 4.0.1
Software
Open
MoleditPy — A Python-based molecular editing software
Authors/Creators
Description
MoleditPy is a programmable and cross-platform molecular editor built in Python. It streamlines the workflow from 2D drawing to 3D visualization, making it an ideal tool for rapidly preparing input files for DFT calculations. Designed as an open platform, it also allows users to freely extend its capabilities, writing custom Python scripts to manipulate molecular data, automate tasks, or integrate new cheminformatics algorithms seamlessly.
Files
Files
(7.4 MB)
Additional details
Dates
- Updated
-
2026-06-20
Software
- Repository URL
- https://github.com/HiroYokoyama/python_molecular_editor
- Programming language
- Python
- Development Status
- Active
References
- RDKit: Open-source cheminformatics. https://www.rdkit.org. https://doi.org/10.5281/zenodo.591637
- N M O'Boyle, M Banck, C A James, C Morley, T Vandermeersch, and G R Hutchison. "Open Babel: An open chemical toolbox." J. Cheminf. (2011), 3, 33. DOI:10.1186/1758-2946-3-33