SMILES-enumeration | SMILES enumeration for QSAR modelling using LSTM recurrent

by EBjerrum Python Version: Current License: MIT

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

kandi X-RAY | SMILES-enumeration Summary

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

SMILES enumeration is the process of writing out all possible SMILES forms of a molecule. It's a useful technique for data augmentation before sequence based modeling of molecules. You can read more about the background in this blog post or this preprint on arxiv.org. Theres a more updated package available at Import the SmilesEnumerator and instantiate the object. A few SMILES strings will be enumerated as a demonstration.

Support

Quality

Security

License

Reuse

Support

SMILES-enumeration has a low active ecosystem.

It has 89 star(s) with 43 fork(s). There are 6 watchers for this library.

It had no major release in the last 6 months.

There are 0 open issues and 2 have been closed. On average issues are closed in 1048 days. There are 1 open pull requests and 0 closed requests.

It has a neutral sentiment in the developer community.

The latest version of SMILES-enumeration is current.

Quality

SMILES-enumeration has 0 bugs and 0 code smells.

Security

SMILES-enumeration has no vulnerabilities reported, and its dependent libraries have no vulnerabilities reported.

SMILES-enumeration code analysis shows 0 unresolved vulnerabilities.

There are 0 security hotspots that need review.

License

SMILES-enumeration is licensed under the MIT License. This license is Permissive.

Permissive licenses have the least restrictions, and you can use them in most projects.

Reuse

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

SMILES-enumeration has no build file. You will be need to create the build yourself to 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 SMILES-enumeration and discovered the below as its top functions. This is intended to give you an instant insight into SMILES-enumeration implemented functionality, and help decide if they suit your requirements.

Return the next batch of images
Transform a molecule
Randomize a molecule
Generator for the flow index
Resets the batch
Transform a list of smiles into one - hot vectors
Transform a vector
Fill the charset

Get all kandi verified functions for this library.

SMILES-enumeration Key Features

No Key Features are available at this moment for SMILES-enumeration.

SMILES-enumeration Examples and Code Snippets

Checks if this is a smile .

java

Lines of Code : 4

License : Non-SPDX

Copy

@Override
  public boolean getMood() {
    return isHappy;
  }

Community Discussions

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

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

Vulnerabilities

No vulnerabilities reported

Install SMILES-enumeration

You can download it from GitHub.
You can use SMILES-enumeration 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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