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Commits on Nov 26, 2024

• Update README.md

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  ijpulidos

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  c716ba9

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Commits on Dec 19, 2023

• Update cli.py

  mikemhenry

  authored
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Commits on Oct 23, 2023

• Fix incorrect implementation of logsumexp (#1238)

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  badisa

  authored
  7eaa162

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Commits on Sep 15, 2023

• Change log for 0.10.3 release (#1236)

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  mikemhenry

  authored
  6c6419f

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Commits on Sep 14, 2023

• 0.10.x merge into main (#1235)

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  2329fed

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Commits on Jul 27, 2023

• CI miscellaneous fixes (#1217)

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  ijpulidos

  and

  mikemhenry

  authored
  ae55801

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Commits on Jun 28, 2023

• release notes for 0.10.2 (#1208)

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  mikemhenry

  authored
  06bbd50

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Commits on Jun 15, 2023

• Allow specifying solvent model in input YAML file (#1202)

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  ijpulidos

  and

  mikemhenry

  authored
  206a6b1

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

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  mikemhenry

  and

  ijpulidos

  authored
  9b20826

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• use `False` for reassign velocities in `ProteinMutationExecutor` docstring example. (#1169)

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  ijpulidos

  and

  mikemhenry

  authored
  aa20975

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• Using default online analysis interval. fix gpu ci. (#1207)

  ijpulidos

  authored
  076e043

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• change default to none (#1185)

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  mikemhenry

  and

  ijpulidos

  authored
  75de583

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• enable merge queue (#1206)

  mikemhenry

  authored
  c99b682

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• Fixes for new openmmtools 0.23.0 (#1203)

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  mikemhenry

  and

  ijpulidos

  authored
  72eac20

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Commits on May 8, 2023

• update test (#1188)

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  zhang-ivy

  and

  ijpulidos

  authored
  53c61b8

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• update test (#1188)

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  zhang-ivy

  and

  ijpulidos

  authored
  909229b

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Commits on Apr 28, 2023

• Add small molecule repex consistency tests (#1065)

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  3 peopleauthored
  8e3e423

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Commits on Apr 25, 2023

• Skip failing openmm 8 tests (#1186)

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  mikemhenry

  authored
  6730065

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Commits on Apr 19, 2023

• Support openff-toolkit >=0.11 (#1128)

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  jchodera

  and

  ijpulidos

  authored
  e1d303c

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Commits on Apr 7, 2023

• add caching (#1178)

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  mikemhenry

  authored
  4b3facc

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Commits on Mar 28, 2023

• update release process (#1162)

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  mikemhenry

  authored
  f48bb74

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Commits on Mar 1, 2023

• remove outdated recipe (#1159)

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  mikemhenry

  and

  ijpulidos

  authored
  f6787e8

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

  mikemhenry

  authored
  a24067b

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Commits on Feb 25, 2023

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

  mikemhenry

  authored
  c7971db

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Commits on Feb 24, 2023

• Avoid testing non-examples in CI (#1164)

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  ijpulidos

  and

  mikemhenry

  authored
  2ff6ecc

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Commits on Feb 21, 2023

• add docker files (#1087)

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  mikemhenry

  and

  ijpulidos

  authored
  12d8b21

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• Speed up RTD env generation (#1105)

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  mikemhenry

  and

  ijpulidos

  authored
  9709b43

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Commits on Feb 19, 2023

• Add reproducible version of COVID Moonshot examples anyone can run as an example (#1145)

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  jchodera

  authored
  9a7d593

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Commits on Feb 2, 2023

• resolves issue #1150 (#1151)

  mikemhenry

  authored
  4e36a6b

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Commits on Jan 26, 2023

• Remove basic config (#1149)

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  ijpulidos

  authored
  e536cfd

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Commits on Jan 17, 2023

• Fix CI (#1144)

  mikemhenry

  authored
  79d2437

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Commits on Jan 13, 2023

• feat(docker): Add opencontainers image-spec to `Dockerfile` (#1139)

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  SauravMaheshkar

  authored
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Commits on Jan 10, 2023

• Using the faster `LangevinDynamicsMove` (#1138)

  ijpulidos

  authored
  21c1ed1

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Commits on Dec 15, 2022

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

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  3 peopleauthored
  1dc9b86

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Commits on Dec 6, 2022

• Running vacuum and solvent phases before complex in examples and templates

  ijpulidos

  authored
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