All pull requests

Pull requests

• add mixed network tutorial

  #350·jthorton opened Oct 28, 2026Contributor·

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  2

  

• Use charged ligands across all tutorials except charging tutorials

  #347·hannahbaumann opened Oct 26, 2026Contributor·

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  1

  37

• Update showcase notebook

  #345·hannahbaumann opened Oct 23, 2026Contributor·3 of 6 tasks·

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  1

  64

  

• Cookbook on exploring common RBFE protocol settings

  #344·jthorton opened Oct 22, 2026Contributor·

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  26

  

• update example SLURM script for task-based execution

  #338·atravitz opened Oct 15, 2026Contributor·

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  1

  

• Add a tutorial for doing an RBFE with peptides using rosemary

  #323·IAlibay opened Aug 30, 2026Member·

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  2

• update advanced topics & customization notebook

  #280·atravitz opened Dec 11, 2025Contributor·

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  2

• Partial charge assignation using NAGL in example notebook

  #243·ijpulidos opened Oct 23, 2025·

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  4