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Achievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2
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Pinned

  1. samplchallenges/SAMPL6 samplchallenges/SAMPL6 Public

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

    Python 53 32

  2. samplchallenges/SAMPL7 samplchallenges/SAMPL7 Public

    Challenge details, inputs, and results for the SAMPL7 series of challenges

    Python 46 30

  3. choderalab/nano-drugbank choderalab/nano-drugbank Public

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

    Jupyter Notebook 9 8

  4. choderalab/sampl6-physicochemical-properties choderalab/sampl6-physicochemical-properties Public

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

    Jupyter Notebook 6 6

  5. choderalab/IR783-QSNAP choderalab/IR783-QSNAP Public

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

    Jupyter Notebook 2 4

  6. choderalab/assaytools choderalab/assaytools Public

    Modeling and Bayesian analysis of fluorescence and absorbance assays.

    Python 18 11