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  1. Modeling and Bayesian analysis of fluorescence and absorbance assays.

    Python 12 8

  2. Challenge inputs, details, and results for the SAMPL6 series of challenges

    Python 26 16

  3. Analysis of Quantitative Structure-Nanoparticle Assembly Prediction (QSNAP) descriptors for predicting drug-indocyanine dye (IR783) nanoparticle formation.

    Jupyter Notebook 1 1

  4. Cheminformatic analysis of small molecule type drugs in DrugBank for their ability to form nanoparticles with indocyanine dyes.

    Jupyter Notebook 1 2

  5. SAMPL6 physicochemical property prediction challenge (logD, pKa and solubility)

    Jupyter Notebook 2

  6. All Human Serum Albumin affinity measurements will be deposited here.

    Jupyter Notebook 1

318 contributions in the last year

Oct Nov Dec Jan Feb Mar Apr May Jun Jul Aug Sep Oct Mon Wed Fri

Contribution activity

October 2019

Created a pull request in samplchallenges/SAMPL6 that received 3 comments

logP analysis with reassigned method catergories

New logP analysis directory for reassigned method categories: https://github.com/samplchallenges/SAMPL6/tree/logP_analysis5/physical_properties/log…

+15,164 −75 3 comments
9 contributions in private repositories Oct 3 – Oct 18

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