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0.5.1

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@chrisjonesBSU chrisjonesBSU released this 20 Dec 20:01
· 84 commits to master since this release
0.5.1
0d3fbfa
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Learn about vigilant mode.

Changes:

  • PPS molecule added to compound library
  • Improved shrinking procedure that includes temperature annealing
  • Addition of partial charge information to compound library
  • Small fixes to improve performance.
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