Chemprop is a repository containing message-passing neural networks for molecular property prediction.

Features

  • Chemprop is free to use under the MIT License
  • Documentation available
  • PyTorch-based framework
  • For training and evaluating message-passing neural networks
  • For molecular property prediction
  • Command Line Tutorials

Project Samples

Project Activity

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Categories

Machine Learning

License

MIT License

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Chemprop Web Site

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Additional Project Details

Operating Systems

Linux, Mac, Windows

Programming Language

Python

Related Categories

Python Machine Learning Software

Registered

2024-08-15