moldenViz
Installation
Install the core parser and tabulator:
pip install moldenViz
Or add it to a project with uv:
uv add moldenViz
Install the interactive viewer and CLI dependencies with the GUI extra:
pip install 'moldenViz[gui]'
With uv:
uv add 'moldenViz[gui]'
Or install the CLI as a standalone uv tool:
uv tool install 'moldenViz[gui]'
This makes the moldenViz command available on your PATH.
The GUI extra uses PySide6 as its only GUI toolkit. The standalone CLI creates and runs the Qt application for you; applications that embed the viewer keep ownership of their existing Qt event loop.
Quick start
-
Launch the viewer with an example molecule:
moldenViz -e benzene -
Review the CLI guide for version checks, verbosity toggles, and other flags you can pass to
moldenViz. -
Use the Python API for scripted workflows:
from moldenViz import Parser, Tabulator parser = Parser(filename='my.molden') tabulator = Tabulator(filename='my.molden')
-
With the GUI extra installed, launch a viewer from Python:
from moldenViz import Plotter Plotter(filename='my.molden')
-
Embed the same controls and renderer in an existing PySide6 application:
from moldenViz.qt import OrbitalViewer viewer = OrbitalViewer(parent=page) page.layout().addWidget(viewer) viewer.set_input(filename='my.molden')
A host-owned dashboard can hide the built-in controls and drive the public viewer API directly:
viewer = OrbitalViewer(filename='my.molden', parent=page, show_controls=False) viewer.show_orbital(0) viewer.update_appearance(contour=0.05, mo_opacity=0.8) viewer.set_controls_visible(True) # Restore the built-in panel when needed.
Full CLI usage, configuration examples, and API walkthroughs live in the docs.
Documentation
Latest docs: https://moldenviz.readthedocs.io/en/latest/
Roadmap
GitHub milestones are the source of truth for release scope and progress:
- v2.0 is the next release, bringing together the recent performance, responsiveness, reliability, API, packaging, and developer-tooling improvements.
- v3.0 is planned to add reading and tabulation of Cartesian-basis Molden files.
See the documentation roadmap for a high-level summary.
Contributing
Guidelines for reporting issues, running tests, and building docs are in the Contributing guide.
1 maintainer
Metadata
1 maintainer
Release files for moldenViz 2.0.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| moldenviz-2.0.0.tar.gz | 304.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| moldenviz-2.0.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 616.1 kB
Release files / moldenviz-2.0.0.tar.gz
| Download URL | moldenviz-2.0.0.tar.gz |
|---|---|
| Size | 304.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
df8bf1b0527f22a50ce94c7581570127f4607561a20ff971bc03af96cfbe8ac9
|
|
BLAKE2b-256 checksum How to use checksums |
f7f35ba31cae7027f6c396a8b941c0ea921afbf8fe89990a87cb7b594e5ba23a
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Aug 8, 2026.
Transparency logRelease files / moldenviz-2.0.0-py3-none-any.whl
| Download URL | moldenviz-2.0.0-py3-none-any.whl |
|---|---|
| Size | 311.9 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
5446b3e75569112713dccfb2bf09b387601c213e6fefb9c7bcfaf47bd2ebf5f4
|
|
BLAKE2b-256 checksum How to use checksums |
ee4296df92b1e2f1f4c12d06670a3d6e7fe26491d1b9b0e0ed995670f7599946
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
Provenance describes where a file came from. On PyPI, provenance is shared via attestations, which provide a verifiable record of the build or publishing details. View details, limitations and caveats.
PyPI Publish Attestation
PyPI verified that this artifact, at this checksum, originated from the publisher listed below.
Signed by GitHub Actions, verified by PyPI on Aug 8, 2026.
Transparency log
