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@davidlmobley davidlmobley released this 08 Dec 23:26
· 222 commits to master since this release
v1.1
7510810

This release makes a number of significant changes:

  • Incorporates material on potential future benchmark systems which we had cut for space reasons for journal submission, including a fairly extensive section on cyclodextrins
  • Adds a discussion on the need for workflow science to help advance our methods and assess them
  • Inserts a small amount of additional discussion elsewhere which had been cut for space reasons
  • Adds a version number, date, and link back to this repo on the first page of the paper|
  • Fixes some incomplete references
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