Code

Add "Retrospective" tab to dashboard#121

Code

Merged

dotsdl merged 34 commits intomasterchoderalab/fah-xchem:masterfrom retro-tabchoderalab/fah-xchem:retro-tabCopy head branch name to clipboardJun 15, 2021

+442-63

Commits

Commits on Dec 8, 2020

• create basic outline for new tab

  

  glass-w

  committed
  eac01b3

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Commits on Dec 14, 2020

• create basic retrospective analysis tab

  glass-w

  committed
  eb15091

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• change index skeleton for retrospective analysis

  glass-w

  committed
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Commits on Dec 15, 2020

• set new column skeleton and use compound ID only

  glass-w

  committed
  34b305d

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Commits on Dec 16, 2020

• add skeleton function for extracting relatives

  glass-w

  committed
  89f50a0

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Commits on Dec 17, 2020

• move function, update schema, test html, tidy up

  glass-w

  committed
  d740ae0

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• add simple arsenic plots WIP

  glass-w

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  ba32fae

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• change func name, add microstate check, tidy plots

  glass-w

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Commits on Dec 18, 2020

• wrangle exp values to fewer decimal places

  glass-w

  committed
  4ccdc0f

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• fix plot, minor fixes

  glass-w

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  94eed6f

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• fix analysis.json formatting

  glass-w

  committed
  02a4f15

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• format with black, update tab and plots

  glass-w

  committed
  addd3e4

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• fix formatting

  glass-w

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  c31f0b8

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• fix column format

  glass-w

  committed
  45b2961

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Commits on Jan 11, 2021

• use 0.1 error

  glass-w

  committed
  c438652

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• Merge branch 'sprint-5' into retro-tab

  glass-w

  committed
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Commits on Jan 12, 2021

• add plotly

  glass-w

  committed
  63d03fd

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Commits on Jan 13, 2021

• Bugfixes galore!

  jchodera

  committed
  fe76b7d

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• Merge branch 'retro-tab' of https://github.com/choderalab/covid-moonshot-infra into retro-tab

  jchodera

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  11b6724

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• Add reliable transformations plot to retrospective tab.

  jchodera

  committed
  2513495

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• format with Black

  glass-w

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Commits on Jan 24, 2021

• Handle InsufficientDataError

  jchodera

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  b52279d

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• Merge branch 'retro-tab' of https://github.com/choderalab/covid-moonshot-infra into retro-tab

  jchodera

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• Accelerate analysis of incomplete transformations by skipping RUNs

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  jchodera

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Commits on Jan 27, 2021

• Accept _ in PostEra compound IDs

  jchodera

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Commits on Jan 29, 2021

• Suppress nonpolar hydrogens by default

  jchodera

  committed
  d3e3a88

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Commits on Jan 30, 2021

• Bugfix for sorting on webpages

  jchodera

  committed
  db1474d

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• Fix regex when multiple microstate suffixes are in use

  jchodera

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  1a4d290

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Commits on Jan 31, 2021

• Some cleanup

  jchodera

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  cfb2604

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Commits on Feb 6, 2021

• Compress ZIP files

  jchodera

  committed
  c30b862

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• Correctly strip hydrogens from PDB files

  jchodera

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  d44a60c

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Commits on Jun 15, 2021

• Small fixes and notes

  dotsdl

  committed
  18f6ba8

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• Modifications in light of feedback from @glass-w, @jchodera

  dotsdl

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• Merge branch 'master' into retro-tab

  dotsdl

  authored
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