Parameteriser
Installation
Basic
If you just want to interface the brenda database, you can use uv
uv sync or uv sync --extra dev if you also want to install e.g. jupyter notebook.
Then choose the resulting virtual environment in .venv/bin/python
Full
This is currently broken due to a numpy 1 / 2 version mismatch
If you also want to enable experimental features, such as interfacing the deepmolecules package, use pixi.
pixi install
The choose the resulting virtual environment in .pixi/envs/default/bin/python
License
Documentation
The official documentation is hosted here on gitlab.
Issues and support
If you experience issues using the software please contact us through our issues page.
Contributing
All contributions, bug reports, bug fixes, documentation improvements, enhancements and ideas are welcome. See our contribution guide for more information.
2 maintainers
Release files for parameteriser 0.2.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| parameteriser-0.2.0.tar.gz | 286.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| parameteriser-0.2.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 326.1 kB
Release files / parameteriser-0.2.0.tar.gz
| Download URL | parameteriser-0.2.0.tar.gz |
|---|---|
| Size | 286.6 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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|
|
BLAKE2b-256 checksum How to use checksums |
8001ce57c57dd93184b22b3eb31716ae150253f0b3c8258c8621bab5b59f368f
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.7.2
|
Release files / parameteriser-0.2.0-py3-none-any.whl
| Download URL | parameteriser-0.2.0-py3-none-any.whl |
|---|---|
| Size | 39.5 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
a78a93384686569d12c89f780202ee1573c68ef56c4225e944fc2327f2630d5b
|
|
BLAKE2b-256 checksum How to use checksums |
f04de0af5d27d86308b30c6d504f1573b969a81a0e4c35cc767c4da8717194cf
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
uv/0.7.2
|
