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Making a few new ipython notebooks to play with new spectrum and competition assay data #28

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merged 8 commits into from
Jan 25, 2016

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sonyahanson
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Making a few new ipython notebooks to play with new spectrum and competition assay data. Anticipated changes are:

  • adjust examples/ipynbs directory organization
  • make new ipython notebook for looking at gefinitib/imatinib competition assay
  • make new ipython notebook for looking at new 4x4 (protein x ligand) (16!) spectra results

@sonyahanson
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Added ipynb plotting initial competition data and modeling competition assay according to the three_component_binding_model.

@sonyahanson
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New commit includes ipynb to make images of spectra as shared with John on Friday.

@sonyahanson
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Will likely merge this soon if there are no complaints.

@jchodera
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@jchodera
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Other than that, no objections!

@sonyahanson
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Oh, oops. Thanks!

sonyahanson pushed a commit that referenced this pull request Jan 25, 2016
Making a few new ipython notebooks to play with new spectrum and competition assay data
@sonyahanson sonyahanson merged commit 10ecb5d into choderalab:master Jan 25, 2016
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2 participants