semvec/pypi-packages huggingface dataset:
sqla-wrapper 6.0.0
A framework-independent modern wrapper for SQLAlchemy & Alembic
License: MIT
Requires Python: >=3.9,<4.0

![SQLA-Wrapper](header.png)

A friendly wrapper for [modern SQLAlchemy](https://docs.sqlalchemy.org/en/20/glossary.html#term-2.0-style) (v1.4 or later) and Alembic.

**Documentation:** https://sqla-wrapper.scaletti.dev/

Includes:

- A SQLAlchemy wrapper, that does all the SQLAlchemy setup and gives you:
    - A scoped session extended with some useful active-record-like methods.
    - A declarative base class.
    - A helper for performant testing with a real database.

    ```python
    from sqla_wrapper import SQLAlchemy

    db = SQLAlchemy("sqlite:///db.sqlite", **options)
    # You can also use separated host, name, etc.
    # db = SQLAlchemy(user=…, password=…, host=…, port=…, name=…)
    ```

- An Alembic wrapper that loads the config from your application instead of from separated `alembic.ini` and `env.py` files.

    ```python
    from sqla_wrapper import Alembic, SQLAlchemy

    db = SQLAlchemy(…)
    alembic = Alembic(db, "db/migrations")
    ```
nmrsim 0.6.0.post1
A library for simulating nuclear magnetic resonance (NMR) spectra.
License: MIT
Requires Python: >=3.7



.. image:: https://mybinder.org/badge_logo.svg
 :target: https://mybinder.org/v2/gh/sametz/nmrsim/master?filepath=docs%2Fsource%2Fjupyter

Click the "**Launch Binder**" link above
to see how **nmrsim** can be used in Jupyter notebooks.

`Documentation on Read the Docs <https://nmrsim.readthedocs.io/>`_

nmrsim
======

.. image:: https://img.shields.io/pypi/v/nmrsim
 :target: https://pypi.org/project/nmrsim/

**nmrsim** is a Python library for the simulation of solution-state nuclear magnetic resonance (NMR) spectra.

The project is inspired by the program `WINDNMR <https://www.chem.wisc.edu/areas/reich/plt/windnmr.htm>`_ by Hans
Reich. The goal for Version 1.0 of **nmrsim** is to provide Python tools for the same types of simulations that
WINDNMR did--first- and second-order simulation of spin-1/2 spin systems, plus simulation of some dynamic NMR (DNMR)
lineshapes. A longer-term goal is to expand the toolset (e.g. to allow higher-spin nuclei, or new DNMR models).

Features
--------
* Class-based abstractions for NMR features (:code:`nmrsim.Multiplet`; :code:`nmrsim.SpinSystem`;
  :code:`nmrsim.Spectrum`).
* Convenience functions for quickly plotting simulation results (:code:`nmrsim.plt`).
* A lower-level API for more "hands-on" calculation of NMR spectra (e.g. functions for creating and solving spin
  Hamiltonians in :code:`nmrsim.qm`).

Examples
--------

See the documentation, or the notebooks in the Jupyter folder, for examples of typical use cases.

Installation
------------

:code:`pip install nmrsim`

See the `Developer Page`_
for details on installing a developer version into a virtual environment.

.. _Developer Page: DEVELOPERS.rst

Contribute
----------

See the `Contributing to nmrsim`_ page for details
on how to contribute to the project.
You don't have to have any particular expertise!
If you've used (or tried to use) the library and have suggestions,
you can make a valuable contribution.

.. _Contributing to nmrsim: CONTRIBUTING.rst