Issues

• Set a PR template for submissions to this repository

  OpenFreeEnergy/ExampleNotebooks#330 · Filter by author IAlibay opened on Sep 25, 2026
  

• Getting AshGC charges cookbook

  OpenFreeEnergy/ExampleNotebooks#328 · Filter by author jthorton opened on Sep 24, 2026
  

• Merge cinnabar-absolute and cinnabar RBFE plotting docs

  OpenFreeEnergy/ExampleNotebooks#313 · Filter by author jthorton opened on Jun 15, 2026

• add headers to notebooks

  OpenFreeEnergy/ExampleNotebooks#292 · Filter by author atravitz opened on Feb 11, 2026

• do we still want a colab link on PRs now what we have ReviewNB?

  OpenFreeEnergy/ExampleNotebooks#279 · Filter by author atravitz opened on Dec 11, 2025
  1

• fix all warnings shown in example notebooks

  OpenFreeEnergy/ExampleNotebooks#277 · Filter by author atravitz opened on Dec 10, 2025
  1

  

• pin google colab runtime

  OpenFreeEnergy/ExampleNotebooks#241 · Filter by author atravitz opened on Oct 21, 2025
  

• add a How to change water model notebook

  OpenFreeEnergy/ExampleNotebooks#189 · Filter by author jthorton opened on Feb 11, 2025
  

• add solvation details to showcase notebook

  OpenFreeEnergy/ExampleNotebooks#183 · Filter by author atravitz opened on Dec 4, 2024

• User Guide review: execution

  OpenFreeEnergy/ExampleNotebooks#178 · Filter by author atravitz opened on Nov 7, 2024
  

• should we still reference Perses in showcase notebook?

  documentation
  OpenFreeEnergy/ExampleNotebooks#165 · Filter by author atravitz opened on Oct 9, 2024
  1

• To commit or not commit notebook output...

  OpenFreeEnergy/ExampleNotebooks#164 · Filter by author mikemhenry opened on Oct 9, 2024
  4

• Add examples to use multiple GPUs on HPC

  OpenFreeEnergy/ExampleNotebooks#159 · Filter by author ichxw opened on Sep 9, 2024
  1

• Remove benchmark_demo notebook?

  OpenFreeEnergy/ExampleNotebooks#154 · Filter by author IAlibay opened on Jul 23, 2024

• Run OpenFE Doc building in this repo

  OpenFreeEnergy/ExampleNotebooks#142 · Filter by author mikemhenry opened on May 7, 2024

• TKY2 Result failure with gather

  OpenFreeEnergy/ExampleNotebooks#141 · Filter by author mikemhenry opened on May 2, 2024

• Slim down results pulled into showcase

  OpenFreeEnergy/ExampleNotebooks#140 · Filter by author mikemhenry opened on May 1, 2024

• Test everything that can be tested

  OpenFreeEnergy/ExampleNotebooks#130 · Filter by author IAlibay opened on Apr 21, 2024
  1

  

• Showcase: Cinnabar usage

  OpenFreeEnergy/ExampleNotebooks#114 · Filter by author richardjgowers opened on Mar 4, 2024
  

• Showcase: Include structural analysis section

  OpenFreeEnergy/ExampleNotebooks#113 · Filter by author richardjgowers opened on Mar 4, 2024
  

• Showcase: Include energetics analysis section

  OpenFreeEnergy/ExampleNotebooks#112 · Filter by author richardjgowers opened on Mar 4, 2024

• Showcase: Include data created by execution in notebook repo

  OpenFreeEnergy/ExampleNotebooks#111 · Filter by author richardjgowers opened on Mar 4, 2024
  

• Showcase: Document atom mapping scoring metrics

  OpenFreeEnergy/ExampleNotebooks#107 · Filter by author richardjgowers opened on Mar 4, 2024
  1

• Notebook for RHFEs

  1.0docdriveenhancement
  OpenFreeEnergy/ExampleNotebooks#93 · Filter by author IAlibay opened on Jan 19, 2024

• Make cookbook materials fetchables

  OpenFreeEnergy/ExampleNotebooks#87 · Filter by author dwhswenson opened on Oct 10, 2023