Critical Preview 1.0 Checklist
See original GitHub issueRunning checklists of TODOs from a meeting today that we want to accomplish in the next week
- Enable Explicit Solvent Restraints - @andrrizzi
- Update YANK README.md - @lnaden
- Add
yank-examples
conda-recipe - @lnaden - Add
yank-examples
after install message to meta.yaml - @lnaden - Update
yank-examples
readme’s to point to website and add manifest - @lnaden - Proof and merge the examples update in online docs - @andrrizzi @jchodera
- Update online YAML docs with what is experimental, untested, broken (reaction field), and in development - @lnaden
- Improve YAML commands - @andrrizzi
- Validate some number with T4 Lysozyme and a couple ligands once some bugs fixed - @lnaden @andrrizzi
- Restraint validation - @jchodera
- Change
softcore_beta
default in alchemy to be 0.0 by default - @andrrizzi - Swap out T4 lysozyme
all-ligands
with minimal set of 4 ligands from Mobley paper - @andrrizzi - YAML version - @andrrizzi
- MPI Debug
- Sort out S3 docs issues with version number / development
- Switch to MIT license - See #563
Close issue when checklist complete.
Issue Analytics
- State:
- Created 7 years ago
- Comments:6 (6 by maintainers)
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Top GitHub Comments
The later. I dont think we need the CLI depreciated by Tuesday since no examples use it, its removed from the docs by this point, and there is no harm in leaving the functions in place for now. We can pull it out afterwords as there are more front-end facing things we want to show people
This may actually be better put in the Projects than an issue come to think of it