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mikemhenry

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Commits on Dec 19, 2023

• Update cli.py

  mikemhenry

  authoredDec 19, 2023
  f3aacde

Commits on Sep 15, 2023

• Change log for 0.10.3 release (#1236)

  mikemhenry

  authoredSep 15, 2023
  6c6419f

Commits on Sep 14, 2023

• 0.10.x merge into main (#1235)

  

  3 peopleauthoredSep 14, 2023
  2329fed

Commits on Jun 28, 2023

• release notes for 0.10.2 (#1208)

  mikemhenry

  authoredJun 28, 2023
  06bbd50

Commits on Jun 15, 2023

• Document how to control the log level in the CLI (#1198)

  

  mikemhenry

  and

  ijpulidos

  authoredJun 15, 2023
  9b20826

• change default to none (#1185)

  

  mikemhenry

  and

  ijpulidos

  authoredJun 15, 2023
  75de583

• enable merge queue (#1206)

  mikemhenry

  authoredJun 15, 2023
  c99b682

• Fixes for new openmmtools 0.23.0 (#1203)

  

  mikemhenry

  and

  ijpulidos

  authoredJun 15, 2023
  72eac20

Commits on Apr 25, 2023

• Skip failing openmm 8 tests (#1186)

  mikemhenry

  authoredApr 25, 2023
  6730065

Commits on Apr 7, 2023

• add caching (#1178)

  mikemhenry

  authoredApr 7, 2023
  4b3facc

Commits on Mar 28, 2023

• update release process (#1162)

  mikemhenry

  authoredMar 28, 2023
  f48bb74

Commits on Mar 1, 2023

• remove outdated recipe (#1159)

  

  mikemhenry

  and

  ijpulidos

  authoredMar 1, 2023
  f6787e8

• only run dev with newest python version (#1165)

  mikemhenry

  authoredMar 1, 2023
  a24067b

Commits on Feb 25, 2023

• fix issue with logic, add debug statements (#1163)

  mikemhenry

  authoredFeb 25, 2023
  c7971db

Commits on Feb 21, 2023

• add docker files (#1087)

  

  mikemhenry

  and

  ijpulidos

  authoredFeb 21, 2023
  12d8b21

• Speed up RTD env generation (#1105)

  

  mikemhenry

  and

  ijpulidos

  authoredFeb 21, 2023
  9709b43

Commits on Feb 2, 2023

• resolves issue #1150 (#1151)

  mikemhenry

  authoredFeb 2, 2023
  4e36a6b

Commits on Jan 17, 2023

• Fix CI (#1144)

  mikemhenry

  authoredJan 17, 2023
  79d2437

Commits on Dec 15, 2022

• Add openmm 8 beta to testing matrix (#1124)

  

  3 peopleauthoredDec 15, 2022
  1dc9b86

Commits on Sep 12, 2022

• move oedepict call to after we set all options

  mikemhenry

  committedSep 12, 2022
  ed5bb3a

• Merge branch 'main' into fix/issue_1082

  mikemhenry

  authoredSep 12, 2022
  a7eae10

• document setting ionic strengh in example (#1104)

  mikemhenry

  authoredSep 12, 2022
  2ff4a7b

• Merge branch 'main' into fix/issue_1082

  mikemhenry

  authoredSep 12, 2022
  6a279e2

• fix issue with test asset name (#1102)

  mikemhenry

  authoredSep 12, 2022
  bcabbf3

• Merge branch 'main' into fix/issue_1082

  mikemhenry

  authoredSep 12, 2022
  fb2c667

• make save_freq functional in validate_endstate_energies_md (#1101)

  

  mikemhenry

  and

  ijpulidos

  authoredSep 12, 2022
  10091ac

• Merge branch 'main' into fix/issue_1082

  mikemhenry

  authoredSep 12, 2022
  553477f

Commits on Sep 9, 2022

• set aromatic draw style to OEAromaticStyle_Circle in atom mapper

  mikemhenry

  committedSep 9, 2022
  dfec3de

Commits on Sep 6, 2022

• Feat/fix ssl gpu error (#1095)

  mikemhenry

  authoredSep 6, 2022
  aa929f1

Commits on Sep 1, 2022

• Pin to older openff-toolkit until we get openmmtools fixed (#1099)

  mikemhenry

  authoredSep 1, 2022
  2fcd152

Commits on Aug 19, 2022

• skip broken tests (#1074)

  mikemhenry

  authoredAug 19, 2022
  37da4fb

• Feat/enable cloud io (#1073)

  mikemhenry

  authoredAug 19, 2022
  52e324c

Commits on Aug 12, 2022

• test branch protection

  mikemhenry

  committedAug 12, 2022
  87bc1d0

Commits on Aug 4, 2022

• add python 3.10 to CI (#1080)

  mikemhenry

  authoredAug 4, 2022
  1610cf8

Commits on Aug 2, 2022

• pin pymbar to stay on 3.x version (#1076)

  mikemhenry

  authoredAug 2, 2022
  cbc9b02

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