gmxapi-scripts | Sample scripts for running some high-level tasks

by kassonlab Python Version: Current License: No License

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kandi X-RAY | gmxapi-scripts Summary

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

Sample scripts for running some high-level tasks including ensemble simulation in gmxapi. These scripts demonstrate current and near-term planned functionality under subtasks of GROMACS issue 2045 and as outlined in the roadmap. The general syntax for the gmxapi user interface in GROMACS 2020 will be finalized by about May 1, 2019. Please note feedback, questions, and concerns in the Issues or to issues@gmxapi.org.

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Support

gmxapi-scripts has a low active ecosystem.

It has 0 star(s) with 1 fork(s). There are 6 watchers for this library.

It had no major release in the last 6 months.

There are 2 open issues and 1 have been closed. On average issues are closed in 4 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of gmxapi-scripts is current.

Quality

gmxapi-scripts has no bugs reported.

Security

gmxapi-scripts has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

License

gmxapi-scripts 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.

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gmxapi-scripts releases are not available. You will need to build from source code and install.

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

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gmxapi-scripts Key Features

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gmxapi-scripts Examples and Code Snippets

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Vulnerabilities

No vulnerabilities reported

Install gmxapi-scripts

You can download it from GitHub.
You can use gmxapi-scripts 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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