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Commits on May 31, 2022

• Merge pull request #102 from MobleyLab/gha

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  davidlmobley

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• Update README with new installation instructions

  mattwthompson

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• Remove old scripts/tools

  mattwthompson

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• Merge remote-tracking branch 'josh/fix-mutablemapping' into gha

  mattwthompson

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• Revert debug code

  mattwthompson

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• Add networkx to test environment

  mattwthompson

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• Migrate from Travis CI to GitHub Actions

  mattwthompson

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• collections.MutableMapping -> collections.abc.MutableMapping to fix Python 3.10

  Yoshanuikabundi

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Commits on Apr 30, 2020

• Merge pull request #97 from MobleyLab/update-miniconda

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  mattwthompson

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Commits on Apr 27, 2020

• Update miniconda URL

  mattwthompson

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Commits on Dec 13, 2019

• Add new release to README (#94)

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  bannanc

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• API changes, doc updates from preprint

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  bannanc

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Commits on Jul 19, 2019

• add new encrypted license (#92)

  bannanc

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Commits on Apr 23, 2019

• add logo (#81)

  bannanc

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Commits on Apr 20, 2019

• switch python version in read the docs (#79)

  bannanc

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Commits on Apr 19, 2019

• Add the important things from CookieCutter (#70)

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  bannanc

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Commits on Apr 12, 2019

• update README (#76)

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  bannanc

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Commits on Apr 1, 2019

• Test Python 3.6 on Travis (#68)

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  bannanc

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Commits on Jan 24, 2019

• Version update (#71)

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  bannanc

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• Update README before creating release (#69)

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  bannanc

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• Update decoration order and environment parsing fixes (#65)

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  bannanc

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Commits on Jan 17, 2019

• Fix symmetry for torsions (#60)

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  bannanc

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Commits on Nov 26, 2018

• Update the way layers are added per issue #56 (#58)

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  bannanc

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Commits on Nov 6, 2018

• Add handling for symmetry around force field parameters (#50)

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  bannanc

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Commits on Nov 5, 2018

• Automatically chose the number of layers (#48)

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  bannanc

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• SMIRKSifier update to make removing decorators more efficient (#45)

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  bannanc

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Commits on Oct 23, 2018

• Update scoring function and move to utilities (#44)

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  bannanc

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Commits on Oct 17, 2018

• Create a `mol_toolkit.py` file that acts as a factory (#43)

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  bannanc

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Commits on Oct 16, 2018

• Update Clusters to use tuples and update relevant documentation and examples (#41)

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  bannanc

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Commits on Sep 26, 2018

• Add SMIRKSifier, port code from openforcefield, and add utility functions (#30)

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  bannanc

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Commits on Sep 21, 2018

• Update OE License (#35)

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  bannanc

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Commits on Jul 20, 2018

• Add layers to cluster graphs, improve some doc strings, expand tests (#24)

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  bannanc

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Commits on Jun 13, 2018

• Merge pull request #21 from MobleyLab/examples

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  bannanc

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  8fe1012

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• try a different environment for travis

  bannanc

  committed
  75710b5

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• undo jupyter notebook changes

  bannanc

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