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
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.
1 maintainer
Metadata
1 maintainer
Release files for rdkit-step 2023.2.22
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| rdkit_step-2023.2.22.tar.gz | 308.0 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| rdkit_step-2023.2.22-py2.py3-none-any.whl | Python 2, Python 3 | none | any | Details |
Total release size: 331.1 kB
Release files / rdkit_step-2023.2.22.tar.gz
| Download URL | rdkit_step-2023.2.22.tar.gz |
|---|---|
| Size | 308.0 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
0bda2497638e0d47754468afdb36fada0014a167743424a16a2d74e354ce5088
|
|
BLAKE2b-256 checksum How to use checksums |
26a456dcc9c129fd35178ffefa1e8f7b1d08d07e65d6e1dfc7a7993d0c4a9452
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.11.2
|
Release files / rdkit_step-2023.2.22-py2.py3-none-any.whl
| Download URL | rdkit_step-2023.2.22-py2.py3-none-any.whl |
|---|---|
| Size | 23.1 kB |
| Tags | Python 2 Python 3 |
|
SHA-256 checksum How to use checksums |
fcc999ecdd5ec2a4c4773360ba796238fe6a168c46235556f652fcee8a93cdb5
|
|
BLAKE2b-256 checksum How to use checksums |
fad83eaa5a77440703e0fbaadda799389e55c133f791450bcf835dc29460a1a1
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.11.2
|
