CatHub | Python API for the Surface Reactions database | REST library

by SUNCAT-Center Python Version: 0.1.7 License: GPL-3.0

X-Ray Key Features Code Snippets(3)Community Discussions(1)Vulnerabilities Install Support

kandi X-RAY | CatHub Summary

CatHub is a Python library typically used in Web Services, REST applications. CatHub has no bugs, it has no vulnerabilities, it has build file available, it has a Strong Copyleft License and it has low support. You can install using 'pip install CatHub' or download it from GitHub, PyPI.

CatHub provides an interface to the Surface Reactions database on Catalysis-Hub.org. The module includes a command line interface that can be used to access and upload data. A short guide is given below. We refer to the catalysis-hub documentation for details on how to submit data.

Support

Quality

Security

License

Reuse

Support

CatHub has a low active ecosystem.

It has 8 star(s) with 7 fork(s). There are 7 watchers for this library.

It had no major release in the last 12 months.

There are 0 open issues and 1 have been closed. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of CatHub is 0.1.7

Quality

CatHub has no bugs reported.

Security

CatHub has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

CatHub is licensed under the GPL-3.0 License. This license is Strong Copyleft.

Strong Copyleft licenses enforce sharing, and you can use them when creating open source projects.

Reuse

CatHub releases are available to install and integrate.

Deployable package is available in PyPI.

Build file is available. You can build the component from source.

Installation instructions are not available. Examples and code snippets are available.

Top functions reviewed by kandi - BETA

kandi has reviewed CatHub and discovered the below as its top functions. This is intended to give you an instant insight into CatHub implemented functionality, and help decide if they suit your requirements.

Use fuzzy match algorithm
Compare two atoms
Get a chemical formula
Returns the reduced chemical formula
Transfer atomic structures to the server
Perform fuzzy match on a list of structures
Update reaction
Read reaction data from table
Return the last ID of the last reaction
Create a template file for the given template
Transfer atomic structures to a file
Construct a reference system reference system
Show the data for a given pub_id
Get reactions
Plot intercepts and intercepts
Convert a db file into a pandas DataFrame
Write a reaction to the database
Delete a specific dataset
Create a new publication record
Return a table of publication results
Delete a publication
Set intermediate parameters
Get reactions from query
Preprocess a csv file
Get reaction reactions from folder
Check if a reaction exists on the surface
Get stoichiometry factors
Correct adiabatic correction

Get all kandi verified functions for this library.

CatHub Key Features

No Key Features are available at this moment for CatHub.

CatHub Examples and Code Snippets

Examples

Python

Lines of Code : 23

License : Strong Copyleft (GPL-3.0)

Copy

from cathub.cathubsql import CathubSQL

# To get data on catalysis-hub.org
db = CathubSQL()

# Data from local cathub .db file
db = CathubSQL('filename.db')

dataframe = db.get_dataframe(pub_id='PengRole2020',
                             include_ato

Uploading data

Python

Lines of Code : 5

License : Strong Copyleft (GPL-3.0)

Copy

cathub organize  -a  -c  -x  -f  -S 

cathub make_folders --create-template 
cathub make_folders 

cathub folder2db 

cathub db2server

Using the cathub cli

Python

Lines of Code : 2

License : Strong Copyleft (GPL-3.0)

Copy

cathub --help

cathub reactions --help

Community Discussions

Trending Discussions on CatHub

MongoDB Node.js TypeError: Cannot read property 'db' of null

QUESTION

MongoDB Node.js TypeError: Cannot read property 'db' of null

Asked 2019-Sep-16 at 14:58

I'm making a DB for my project, but in this code:

...

ANSWER

Answered 2018-Jul-05 at 10:42

As mentioned above, you need to log the connection error. Once you do this you'll have an idea what the connection problem is! Make sure also that the DB name is present in your URL!

Source https://stackoverflow.com/questions/51188989

Community Discussions, Code Snippets contain sources that include Stack Exchange Network

Vulnerabilities

No vulnerabilities reported

Install CatHub

You can install using 'pip install CatHub' or download it from GitHub, PyPI.
You can use CatHub like any standard Python library. You will need to make sure that you have a development environment consisting of a Python distribution including header files, a compiler, pip, and git installed. Make sure that your pip, setuptools, and wheel are up to date. When using pip it is generally recommended to install packages in a virtual environment to avoid changes to the system.

Support

For any new features, suggestions and bugs create an issue on GitHub. If you have any questions check and ask questions on community page Stack Overflow .

Find more information at: