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Title: GitHub - ATOMScience-org/AMPL: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

Open Graph Title: GitHub - ATOMScience-org/AMPL: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

X Title: GitHub - ATOMScience-org/AMPL: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery.

Description: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery. - ATOMScience-org/AMPL

Open Graph Description: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery. - ATOMScience-org/AMPL

X Description: The ATOM Modeling PipeLine (AMPL) is an open-source, modular, extensible software pipeline for building and sharing models to advance in silico drug discovery. - ATOMScience-org/AMPL

Opengraph URL: https://github.com/ATOMScience-org/AMPL

X: @github

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https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#hyperparameter-optimization
https://hyperopt.github.io/hyperopt/https://hyperopt.github.io/hyperopt/
https://github.com/hyperopt/hyperopt/wiki/FMinhttps://github.com/hyperopt/hyperopt/wiki/FMin
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#advanced-testing
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#running-all-tests
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#running-slurm-tests
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#running-tests-without-internet-access
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#ampl-tutorials
"atomsci/ddm/examples/tutorials"https://github.com/ATOMScience-org/AMPL/tree/master/atomsci/ddm/examples/tutorials
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#development
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#installing-the-ampl-for-development
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#code-push-policy
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#docstring-format
"Google docstring"https://github.com/google/styleguide/blob/gh-pages/pyguide.md#38-comments-and-docstrings
herehttps://www.sphinx-doc.org/en/master/usage/extensions/example_google.html#example-google
herehttps://sphinxcontrib-napoleon.readthedocs.io/en/latest/example_google.html
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#versioning
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#built-with
DeepChemhttps://github.com/deepchem/deepchem
RDKithttps://github.com/rdkit/rdkit
Mordredhttps://github.com/mordred-descriptor/mordred
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#project-information
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#authors
The Accelerating Therapeutics for Opportunities in Medicine (ATOM) Consortiumhttps://atomscience.org
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#contributors
Amanda Paulsonhttps://github.com/paulsonak
Lawrence Livermore National Laboratoryhttps://www.llnl.gov/
GlaxoSmithKline Inc.https://www.gsk.com/en-gb
Frederick National Laboratory for Cancer Researchhttps://frederick.cancer.gov
University of California, San Franciscohttps://www.ucsf.edu/
Schrodingerhttps://www.schrodinger.com/
Leidoshttps://www.leidos.com
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#support-suggestions-or-report-issues
herehttps://github.com/ATOMScience-org/AMPL/issues
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#contributing
https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL#release
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1.7.0 Release Latest May 20, 2025 https://patch-diff.githubusercontent.com/ATOMScience-org/AMPL/releases/tag/1.7.0
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