https://github.com/aspuru-guzik-group/molar

Molar is a database management to make it easy to store experiment whether computational or not
https://github.com/aspuru-guzik-group/molar

alembic chemistry chemistry-lab chemistry-laboratory data-science data-structures database database-management databases fastapi pandas postgresql pydata python python3 rest-api sql sqlalchemy

Last synced: about 1 month ago
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Molar is a database management to make it easy to store experiment whether computational or not

• Host: GitHub
• URL: https://github.com/aspuru-guzik-group/molar
• Owner: aspuru-guzik-group
• License: bsd-3-clause
• Created: 2021-06-01T14:18:07.000Z (over 3 years ago)
• Default Branch: main
• Last Pushed: 2022-07-15T18:16:33.000Z (over 2 years ago)
• Last Synced: 2024-11-08T00:13:48.976Z (about 1 month ago)
• Topics: alembic, chemistry, chemistry-lab, chemistry-laboratory, data-science, data-structures, database, database-management, databases, fastapi, pandas, postgresql, pydata, python, python3, rest-api, sql, sqlalchemy
• Language: Python
• Homepage: https://molar.readthedocs.io
• Size: 7.05 MB
• Stars: 10
• Watchers: 10
• Forks: 3
• Open Issues: 0
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# Molar 🦷

[![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.6809291.svg)](https://doi.org/10.5281/zenodo.6809291)

Molar is a database management system for PostgreSQL. Its main focus is to enable chemists and material scientist to store the results of their experiment, whether exprimental or not!

It consists of a REST API (implemented using FastAPI) and a python client. ITs main features are:

 - Creation / deletion of database o nuser request

 - User management per database (using JWT tokens and OAuth2)

 - Event sourcing to be sure not to lose any data

 - Client integrates with [PyData's pandas](https://pandas.pydata.org)

 - Support to have different database structure, thanks to [Alembic](https://alembic.sqlalchemy.org)

 - Easy to deploy (you just need 2 command lines, `using docker-compose`)

## Docs

[See here](https://molar.readthedocs.io)

 ## Installation

You can install the package through PYPI.

 ```bash

  $ pip install molar

 ```

 If you want to install the backend, you will need extra dependancies.

 ```bash

  $ pip install molar[backend]

 ```

 Molar ships with a command line interface that makes it easy to deploy, all you need to do is (providing docker is already installed):

```bash

  $ molarcli install local

```