molmimic | Predict Host Pathogen Protein Protein Interactions

by edraizen Python Version: Current License: No License

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kandi X-RAY | molmimic Summary

molmimic is a Python library. molmimic has no bugs, it has no vulnerabilities, it has build file available and it has low support. You can download it from GitHub.

molmimic is a tool to annotate binding sites involved in protein-protein interactions (PPI) given the structure of only one of the interaction partners. This method differs from other binding site prediction programs becuase we treat the problem as a 3D image/volume segmentaion problem. We use Sparse 3D Fully Convolutionary Neural Networks, or Sparse 3D Unet, to make voxel level predictions, where each atom is mapped to one or more voxels. In the future we hope to report binding partners, binding sites for protein-ligand interactions (PLI), sites shared by PPI an PLI for drug repurposing, and sites that are 'mimicking' known interactions, e.g. host-pathogen PPI.

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molmimic has a low active ecosystem.

It has 7 star(s) with 2 fork(s). There are 7 watchers for this library.

It had no major release in the last 6 months.

There are 15 open issues and 12 have been closed. On average issues are closed in 90 days. There are no pull requests.

It has a neutral sentiment in the developer community.

The latest version of molmimic is current.

Quality

molmimic has 0 bugs and 0 code smells.

Security

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

molmimic code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

molmimic 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

molmimic releases are not available. You will need to build from source code and install.

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

Installation instructions, examples and code snippets are available.

It has 25422 lines of code, 1231 functions and 145 files.

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

Top functions reviewed by kandi - BETA

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

Train the model .
Convert mmDB to PDB .
Process inferred interaction .
Calls the SingularitySingularity API
Merge a SFAM cluster .
Parse coordinates .
helper function to merge the observed matrix rows into a single matrix .
Extract atoms and features from the structure .
This function will process the sfam s sms .
Download and return an int file .

Get all kandi verified functions for this library.

molmimic Key Features

No Key Features are available at this moment for molmimic.

molmimic Examples and Code Snippets

No Code Snippets are available at this moment for molmimic.

Community Discussions

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

Vulnerabilities

No vulnerabilities reported

Install molmimic

If not running on aws or cloud-based cluster, install module with all requirements:. Else, follow the AWS steps in the Data generation section to install with all requirments.

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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