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Commits on Oct 5, 2022

• 202210 multiplesmiles (#10)

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  zachcp

  authored
  44b7f04

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Commits on Mar 14, 2022

• Fix depict class check (#8)

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  zachcp

  authored
  e1f0de3

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Commits on Nov 5, 2019

• Merge pull request #2 from zachcp/changegit

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  rajarshi

  authored
  c1f9863

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• update docs with pkgdown

  zachcp

  committed
  eafa798

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• update Rmd and Description file

  zachcp

  committed
  f3bf224

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• add AtomContainer2 to possible accepted classes.

  zachcp

  committed
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Commits on Dec 28, 2017

• update docs

  zachcp

  committed
  e80ff49

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• update docs and bump

  zachcp

  committed
  3b3c51b

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• update depict docs and show usage of titles

  zachcp

  committed
  f17f90c

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• fix add_title

  zachcp

  committed
  6ccfb41

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Commits on Nov 14, 2017

• Merge branch 'master' of github.com:zachcp/depict

  zachcp

  committed
  6c70d86

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• update description

  zachcp

  committed
  890bba1

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• add some smarts query strings

  zachcp

  committed
  b5da3c1

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• move figures to man/figures

  zachcp

  committed
  2ede28b

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Commits on Jul 20, 2017

• update rcdklibs requirement

  zachcp

  committed
  d38e9fd

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• add kekulization option

  zachcp

  committed
  77202d5

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Commits on May 12, 2017

• fix a new error in reading files. again use introspection.

  zachcp

  committed
  31e805c

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• running into an issue. fix by falling back on reflection

  zachcp

  committed
  7a4bcfb

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• Update Readme.md

  zachcp

  authored
  74529f2

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• Update Readme.md

  zachcp

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Commits on Feb 25, 2017

• add some direct java calls. some constructs like those for static methods are still confusing to me. These shouls/may boost speed a bit. Ideally all java calls could proceed via .jcall / .jnew /.jf…

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  zachcp

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  0724ee4

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Commits on Feb 4, 2017

• Update DESCRIPTION

  zachcp

  authored
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Commits on Jan 10, 2017

• add tests for IO

  zachcp

  committed
  ead5a0e

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• consolidate IO into IO.R

  zachcp

  committed
  04472bb

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Commits on Jan 9, 2017

• add documentation/website

  zachcp

  committed
  43bbd8c

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• update readme, change the name

  zachcp

  committed
  f004f14

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• updatr zoom and SMARTS matching

  zachcp

  committed
  206467e

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• add insulin file

  zachcp

  committed
  964e943

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• delete images

  zachcp

  committed
  1f55b2d

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• write a selection function for matching smarts patterns

  zachcp

  committed
  caa4f8b

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• namespace update

  zachcp

  committed
  de1690f

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• update check to alow sor silent AtomContainer

  zachcp

  committed
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• write a simplte parsing funtion that will also return the 2D coordinates

  zachcp

  committed
  51cb02a

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• expand utilities to allow passing multiple classes to check for Java classes

  zachcp

  committed
  c9af97e

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Commits on Jan 8, 2017

• updat cdkdepict to have a small, compasable core

  zachcp

  committed
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