scikit-chem | high level cheminformatics package for the Scientific

by lewisacidic Python Version: 0.0.6 License: Non-SPDX

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

kandi X-RAY | scikit-chem Summary

scikit-chem is a Python library typically used in Institutions, Learning, Education, Quantum Computing applications. scikit-chem has no bugs, it has no vulnerabilities, it has build file available and it has low support. However scikit-chem has a Non-SPDX License. You can download it from GitHub.

A high level cheminformatics package for the Scientific Python stack, built on RDKit.

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Quality

Security

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Support

scikit-chem has a low active ecosystem.

It has 45 star(s) with 9 fork(s). There are 7 watchers for this library.

It had no major release in the last 12 months.

There are 61 open issues and 17 have been closed. On average issues are closed in 25 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of scikit-chem is 0.0.6

Quality

scikit-chem has 0 bugs and 0 code smells.

Security

scikit-chem has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

scikit-chem code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

scikit-chem has a Non-SPDX License.

Non-SPDX licenses can be open source with a non SPDX compliant license, or non open source licenses, and you need to review them closely before use.

Reuse

scikit-chem releases are available to install and integrate.

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

Top functions reviewed by kandi - BETA

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

Draw a 3D mesh
Plot a sphere
Function to plot weights
Transform a series
Write a DataFrame to an SDF file
Create an optional progress bar
Plot weights of molecule
Return a list of tuples
Extract spectra from raw data
Split by ratio
Splits the cluster by the given ratio
Compute the cumsum sum
Transform a molecule
Parse the output file into a numpy array
Parse the outfile output file
Remove Hs
Convert a string to a float
Add Hs
Read yaml file
Read a configuration file
Bind a constructor to a molecule
Transform a molecule into a Pandas DataFrame
Transform a molecule to a NumPy array
Run the pipeline
This method transforms the molecule into a numpy array
Download YAML files
Setup the package

Get all kandi verified functions for this library.

scikit-chem Key Features

No Key Features are available at this moment for scikit-chem.

scikit-chem Examples and Code Snippets

No Code Snippets are available at this moment for scikit-chem.

Community Discussions

Trending Discussions on scikit-chem

ImportError: cannot import name 'AccessorProperty'

QUESTION

ImportError: cannot import name 'AccessorProperty'

Asked 2019-Nov-28 at 16:40

I'm trying to install a package named scikit-chem, which contain this line:

from pandas.core.base import NoNewAttributesMixin, AccessorProperty

But when this package tries to import form pandas, it gets the error:

ImportError: cannot import name 'AccessorProperty'

I've checked the pandas source code and cannot found any class named AccessorProperty. Fixing the whole package is too much for me, I just want to know this class AccessorProperty has been replaced by what class? Or any class in panda that has the same function. For example, this is how scikit-chem use this class:

...

ANSWER

Answered 2019-Jun-04 at 04:23

This could be due to your version of Pandas. The scikit-chem environment.yml specifies Pandas v0.18.1 as a dependency (see here). AccessorProperty is available in that version of Pandas (see here). It also seems that the requirements.txt for scikit-chem doesn't specify version numbers, so it will probably try and install the latest version if installing via pip (AccessorProperty isn't located in base.py for Pandas 0.24.2).

Source https://stackoverflow.com/questions/56437006

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

Vulnerabilities

No vulnerabilities reported

Install scikit-chem

You can download it from GitHub.
You can use scikit-chem 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 .

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