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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. 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