Prediction of enzyme kinetic parameters using deep learning models

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  • License: GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc...
  • Author: Marvin van Aalst
  • Tags ai , enzyme , kinetics , machine learning
  • Requires: Python <3.13, >=3.11
  • Provides-Extra: dev
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Project description

deepmolecules

pipeline status coverage report Documentation PyPi Ruff security: bandit Downloads

This is the python package that belongs to the DeepMolecules webserver.

The webserver is the reference implementation. No guaratee is given for deviations between the two. When in doubt, use the webserver.

Currently the TurNup kcat prediction and kM predidction are implemented.

Installation

uv sync --extras dev

License

GPL 3

Documentation

The official documentation is hosted here on gitlab.

Issues and support

If you experience issues using the software please contact us through our issues page.

Contributing

All contributions, bug reports, bug fixes, documentation improvements, enhancements and ideas are welcome. See our contribution guide for more information.

Project details

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Avatar for marvin.vanaalst from gravatar.com marvin.vanaalst

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  • License: GNU GENERAL PUBLIC LICENSE Version 3, 29 June 2007 Copyright (C) 2007 Free Software Foundation, Inc...
  • Author: Marvin van Aalst
  • Tags ai , enzyme , kinetics , machine learning
  • Requires: Python <3.13, >=3.11
  • Provides-Extra: dev
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This version

0.1.0

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