There is a newer version of the record available.

Published June 11, 2020 | Version 0.7.5
Software Open

mosdef-hub/foyer: Foyer 0.7.5

Authors/Creators

  • 1. Myriad Genetics
  • 2. Vanderbilt University
  • 3. @mosdef-hub
  • 4. University of Michigan
  • 5. NextMove Software

Description

Attention

The lark-parser package recently updated to version 0.8.6, which has broken certain SMARTS functionality within foyer. Until these issues are resolved, do not use lark-parser version 0.8.6. This has been hotfixed until the issue has been resolved (#786)

Features
  • Automate Docker Image publishing with AZP (#334)
  • Add OPLS SMARTS strings for Sulfur Compounds (#307) ### Bug Fixes
  • Pin lark-parser to version 0.8.5 ( #337)

Files

mosdef-hub/foyer-0.7.5.zip

Files (663.9 kB)

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md5:b16819690df4933a670437c94e1d2805
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Additional details

Related works

Is supplement to
https://github.com/mosdef-hub/foyer/tree/0.7.5 (URL)