chem-bla-ics
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  • Jul 31, 2009

    Things to check before you consider submitting a (final) CDK patch #1

    Mark the final in the above title; if you merely seek advice on your patch, feel free to send them in whatever state. However, if you bring up your patch for peer review, make sure to have gone through the following steps, in random order:

    1 minute read
  • Jul 31, 2009

    New Blogs #11

    Not that the last two weeks has seen a boost on blog submissions to Chemical blogspace; just that I was not really finished with New Blogs #10.

    less than 1 minute read
  • Jul 23, 2009

    New Blogs #10

    Many new blogs have appeared in Chemical blogspace since New Blogs #9. I should really make these overviews more often (I left out the new blogs which have not blogged in 2009 yet):

    less than 1 minute read
  • Jul 20, 2009

    Updating my bioclipse.qsar fork with Ola's main branch

    GitHub makes forking cheap, and I have a fork of the bioclipse.qsar repository (see Bioclipse moving to GitHub: CIA hooks enabled), so that I can easily share my patches with Ola for review. Ola can review them and apply them back into his main version.

    less than 1 minute read
  • Jul 17, 2009

    ELN vendor: "The Open Source stuff just works better"

    Simon Coles is CTO of Amphora Research Systems (a company I do not know) and in the business of Electronic Lab Notebooks. I know nothing about their products but would like to propagate the statements he just made on Open Source in reply to a question on LinkedIn (btw, my LinkedIn account):

    less than 1 minute read
  • Jul 15, 2009

    Bioclipse moving to GitHub: CIA hooks enabled

    Following the CDK and JChemPaint Primary, Bioclipe moved to Git just after the 2.0.0 release.

    1 minute read
  • Jul 8, 2009

    JChemPaint-Primary moving to Git

    I knew it was going to be painful, but making the jchempaint-primary branch a proper patch to the CDK master branch is painful. I am working my way towards setting up a git repository (IMPORTANT: these patches are not final yet, and their history will change, as I am rebasing regularly to make cleaner patches! Making copies is save, but please hold of any forking and/or branching on top of it until it is final. Thanx.) for the patch, with split ups of the various parts into reviewable blobs:

    1 minute read
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  • Egon Willighagen
  • 0000-0001-7542-0286

Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.