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  1. samplchallenges/SAMPL6 samplchallenges/SAMPL6 Public

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

    Python 52 32

  2. samplchallenges/SAMPL7 samplchallenges/SAMPL7 Public

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

    Python 46 30

  3. water-darting-manuscript water-darting-manuscript Public

    Water darting BLUES paper

    Python 1

  4. samplchallenges/samplchallenges.github.io samplchallenges/samplchallenges.github.io Public

    Information on the Statistical Assessment of the Modeling of Proteins and Ligands (SAMPL) series of blind prediction challenges for computational chemistry

    SCSS 3 4

  5. BLUES_applications BLUES_applications Public