Ligand Parametrization
Overview
This is a Python package designed to provide a simple workflow for ligand parameterization. It automates many of the key features encountered by users, including...
Documentation
The online documentation is located here: https://ligandparam.readthedocs.io/en/latest/
Developing
Releasing a new version
- update
versionatpyproject.toml. Eg:0.3.2 - Add and commit the change. Then tag the commit:
git tag 0.3.2 git push origin --tags
gitlab's CI/CD will publish the new version automatically
2 maintainers
Metadata
2 maintainers
Release files for ligandparam 1.0.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
|---|---|---|---|---|
| ligandparam-1.0.1.tar.gz | 93.6 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| ligandparam-1.0.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 225.0 kB
Release files / ligandparam-1.0.1.tar.gz
| Download URL | ligandparam-1.0.1.tar.gz |
|---|---|
| Size | 93.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
1a0ee73835903cf0e0a817a6d14c22575ed3557800f7d7fd20927f38adebec8c
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.5.31
|
Release files / ligandparam-1.0.1-py3-none-any.whl
| Download URL | ligandparam-1.0.1-py3-none-any.whl |
|---|---|
| Size | 131.5 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
a9b071f4495f062f122d85f99574a677c542e9104b67e483fde73477cd0cd7fc
|
|
BLAKE2b-256 checksum How to use checksums |
360571d68e1b82f36b710fcf0d49dac08aa46c0c49354eca001160bb49c381dd
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.5.31
|
Security for ligandparam 1.0.1
Provenance
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No provenance found
None of the files in this release were uploaded with provenance metadata.
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