FreeSolv | Experimental and calculated small molecule hydration

by MobleyLab Python Version: v0.52 License: No License

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

kandi X-RAY | FreeSolv Summary

FreeSolv is a Python library. FreeSolv has no bugs, it has no vulnerabilities and it has low support. However FreeSolv build file is not available. You can download it from GitHub.

This repository provides an issue tracker and revision control for the FreeSolv database, initially described in JCAMD (10): If you find any issues, please raise an issue in the issue tracker or file a pull request!.

Support

Quality

Security

License

Reuse

Support

FreeSolv has a low active ecosystem.

It has 58 star(s) with 33 fork(s). There are 24 watchers for this library.

It had no major release in the last 12 months.

There are 11 open issues and 19 have been closed. On average issues are closed in 358 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of FreeSolv is v0.52

Quality

FreeSolv has 0 bugs and 13 code smells.

Security

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

FreeSolv code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

FreeSolv does not have a standard license declared.

Check the repository for any license declaration and review the terms closely.

Without a license, all rights are reserved, and you cannot use the library in your applications.

Reuse

FreeSolv releases are available to install and integrate.

FreeSolv has no build file. You will be need to create the build yourself to build the component from source.

FreeSolv saves you 110 person hours of effort in developing the same functionality from scratch.

It has 280 lines of code, 10 functions and 8 files.

It has low code complexity. Code complexity directly impacts maintainability of the code.

Top functions reviewed by kandi - BETA

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

Check for duplicate keys .
Write a Triposmol2 molecule to file .
Generates a molecule from a SMILES file .
Assigns all conformations to a molecule .
Assign charges to a molecule .
Convert a database to JSON .
Read the database .
Make a directory path .
Compute the mean and standard deviation .
Computes error propagation .

Get all kandi verified functions for this library.

FreeSolv Key Features

No Key Features are available at this moment for FreeSolv.

FreeSolv Examples and Code Snippets

No Code Snippets are available at this moment for FreeSolv.

Community Discussions

No Community Discussions are available at this moment for FreeSolv.Refer to stack overflow page for discussions.

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

Vulnerabilities

No vulnerabilities reported

Install FreeSolv

You can download it from GitHub.
You can use FreeSolv 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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