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Commits on Jun 15, 2021

• Update CI.yaml (choderalab#306)

  mikemhenry

  authored
  96292f7

Commits on May 25, 2021

• Update for OpenMM namespace changes (choderalab#304)

  Show description for 135d2e1
  mikemhenry

  authored
  135d2e1

Commits on Feb 11, 2021

• Merge pull request choderalab#302 from choderalab/setup

  Show description for 058ce34
  jaimergp

  authored
  058ce34

Commits on Nov 15, 2020

• Remove unneeded deps in setup.py

  jaimergp

  committed
  35d4a46

Commits on May 28, 2020

• Merge pull request choderalab#274 from choderalab/fix-273

  Show description for 1575b16
  jchodera

  authored
  1575b16

Commits on May 27, 2020

• Fix CI to only run fast tests

  jchodera

  committed
  72a88d4

• Fix test for failure

  jchodera

  committed
  c1227dc

• Fix insane C=C=[N-] in SMILES test

  jchodera

  committed
  10b2618

• Fall back to AM1 charges if no BCCs available

  jchodera

  committed
  95b3830

• Update checking for parmed version

  jchodera

  committed
  2fc1c8a

Commits on May 22, 2020

• Fix MD5 retrieval

  jchodera

  committed
  81b2747

• Improve leap error checking (@ajsilveira)

  jchodera

  committed
  14ead80

• Add rc test branch

  jchodera

  committed
  ea5cf9d

• Fix ParmEd error in more places

  jchodera

  committed
  93abc57

• Merge remote-tracking branch 'origin/master' into fix-273

  jchodera

  committed
  00cdf4c

Commits on Feb 15, 2020

• Merge pull request choderalab#298 from choderalab/fix-warnings

  Show description for 0c3cc30
  jchodera

  authored
  0c3cc30

• Remove travis badge from README

  jchodera

  committed
  8eedefc

• Merge pull request choderalab#297 from choderalab/fix-warnings

  Show description for 50be07a
  jchodera

  authored
  50be07a

• Get rid of travis

  jchodera

  committed
  675521a

• Re-order channels to prefer conda-forge; pin ambertools >=19

  jchodera

  committed
  ac66b1b

• Use recent ambertools

  jchodera

  committed
  ee4f09e

• Fix horrible, unspeakable bugs

  jchodera

  committed
  e2b33b7

• Segfaults---hooray!

  jchodera

  committed
  2963252

• We don't need to build pushes---just PRs; also be quiet!

  jchodera

  committed
  04d6a72

• test-env.yaml -> test_env.yaml

  jchodera

  committed
  6ed38c4

• Add test environment YAML

  jchodera

  committed
  e9871d5

• ???

  jchodera

  committed
  7291f8c

• Reorder channels

  jchodera

  committed
  8d6d9e8

• Tinker with GHA

  jchodera

  committed
  2f322e5

• Fix recipe

  jchodera

  committed
  167c777

• Fix spelling of 'openeye-toolkits' package

  jchodera

  committed
  66256de

• Add openmmtools dependency

  jchodera

  committed
  4077dee

• Fix conda recipe

  jchodera

  committed
  0aeb223

• Fix package name in travis

  jchodera

  committed
  b0bcf5d

• Fix travis

  jchodera

  committed
  5487c5b

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