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New class to help design experiments based on assaytools MCMC data #80

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Commits on Mar 29, 2017

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Commits on Mar 30, 2017

  1. Apparantly functioning version of code. It can estimate the coefficie…

    …nt of variation and total error of future experiments as a function of protein concetration.
    gregoryross committed Mar 30, 2017
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Commits on Apr 5, 2017

  1. Tidied up example for using AssaySimulator to predict optimal protein…

    … concentrations. Cleaned up functions in AssaySimulator.
    gregoryross committed Apr 5, 2017
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Commits on Apr 7, 2017

  1. Added a simple function to compute the coefficient of variation, vari…

    …ance, and bias for different experimental parameters. The jupyter notebook was updated to reflect this. Two superfluous files were removed.
    gregoryross committed Apr 7, 2017
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Commits on Apr 10, 2017

  1. Addressed comments by jchodera, including:

    -improving doctrings and a few comments
    -removing extra factor of 100 from CV estimation
    -added background fluorescence to data simulation when inner_filter=False
    gregoryross committed Apr 10, 2017
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Commits on Apr 12, 2017

  1. Fixed bug that resulted in abnormally high predicted errors. The func…

    …tionality of AssaySimulator was slighlty changed so that instead of fitting a single binding free energy, multiple estimates of the free energy are returned instead.
    gregoryross committed Apr 12, 2017
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Commits on May 15, 2017

  1. Merge pull request #103 from choderalab/master

    merging master into experiment_design
    sonyahanson committed May 15, 2017
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  2. updated assay simulator to be able to vary delG

    sonyahanson committed May 15, 2017
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  3. updated protein conc for new format

    sonyahanson committed May 15, 2017
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Commits on May 16, 2017

  1. added deltaG variation to ipynb

    sonyahanson committed May 16, 2017
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Commits on Jun 2, 2017

  1. To speed-up the run-time of the least-squares fitting of DeltaG, the …

    …intial guess starts at the true value. In addition, the gradient tolerance of the BFGS optimizer was also readuced for speed.
    gregoryross committed Jun 2, 2017
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  2. For each estimated vector of Delta Gs, the intensity that each was fi…

    …tted to is now outputed. Notebook updated accordingly.
    gregoryross committed Jun 2, 2017
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