SEAMM QCArchive Plug-in
A SEAMM plug-in for QCArchive
Free software: BSD-3-Clause
Documentation: https://molssi-seamm.github.io/qcarchive_step/index.html
Features
Please edit this section!
Acknowledgements
This package was created with the molssi-seamm/cookiecutter-seamm-plugin tool, which is based on the excellent Cookiecutter.
Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award CHE-2136142.
History
2026.3.1 – Internal: switching from deprecated library pkg_resources to importlib
2023.3.30 – Initial working version, with documentation.
With the following functionality:
Creation of QCArchive datasets from SEAMM
Adding structures to entries in a dataset
Retrieving structures from a QCArchive dataset back into SEAMM
1 maintainer
Metadata
1 maintainer
Release files for qcarchive-step 2026.3.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| qcarchive_step-2026.3.1.tar.gz | 4.0 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| qcarchive_step-2026.3.1-py2.py3-none-any.whl | Python 3, Python 2 | none | any | Details |
Total release size: 4.0 MB
Release files / qcarchive_step-2026.3.1.tar.gz
| Download URL | qcarchive_step-2026.3.1.tar.gz |
|---|---|
| Size | 4.0 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
fb901d11d46a208b30eddd62a05a4ef49c61e71413274fb2620074357f38be19
|
|
BLAKE2b-256 checksum How to use checksums |
b356990de0debf6817d24c83621f9df4b9616d90a0a7ef5572ce720cbac0a4f8
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
Release files / qcarchive_step-2026.3.1-py2.py3-none-any.whl
| Download URL | qcarchive_step-2026.3.1-py2.py3-none-any.whl |
|---|---|
| Size | 16.4 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
e48b76089d0d09378963c3d5a12b512a5075cf6a500280666b3686c9341c400c
|
|
BLAKE2b-256 checksum How to use checksums |
a107af84a03a81ff0ab150391621dc74eb9891e5e9be84ee107ab7d99aa898f5
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/6.1.0 CPython/3.13.7
|
