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@samplchallenges The SAMPL Challenges

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    16 repositories

    • SAMPL-league

      Public
      SAMPL container based workflows
      Python
      •2•1•19•17•Updated Oct 7, 2024Oct 7, 2024

    • 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
      •4•3•2•3•Updated Aug 15, 2024Aug 15, 2024

    • SAMPL8

      Public
      Challenge details, inputs, and (eventually) results for the SAMPL8 series of challenges
      Python
      •
      MIT License
      •11•23•1•0•Updated Jan 3, 2024Jan 3, 2024

    • SAMPL9

      Public
      Python
      •
      MIT License
      •5•29•1•0•Updated Oct 19, 2023Oct 19, 2023

    • SAMPL-containers

      Public
      Python
      •
      MIT License
      •1•4•0•1•Updated May 11, 2023May 11, 2023

    • SAMPL6

      Public
      Challenge inputs, details, and results for the SAMPL6 series of challenges
      Python
      •
      MIT License
      •32•53•0•0•Updated Mar 29, 2022Mar 29, 2022

    • SAMPL7

      Public
      Challenge details, inputs, and results for the SAMPL7 series of challenges
      Python
      •
      MIT License
      •30•46•1•0•Updated Nov 2, 2021Nov 2, 2021

    • SAMPL5

      Public
      Archived input files from the SAMPL5 challenge
      MIT License
      •1•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • SAMPL4

      Public
      Archived input files from the SAMPL4 challenge
      Python
      •
      MIT License
      •0•1•0•0•Updated Sep 16, 2021Sep 16, 2021

    • SAMPL3

      Public
      Archived input files from the SAMPL3 challenge
      MIT License
      •0•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • SAMPL2

      Public
      Archived information/files for the SAMPL2 challenge
      MIT License
      •0•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • SAMPL1

      Public
      Repository for historical data from SAMPL1
      MIT License
      •1•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • SAMPL0

      Public
      Repository for historical data from SAMPL0
      MIT License
      •0•0•0•0•Updated Sep 16, 2021Sep 16, 2021

    • docker-documentation

      Public archive
      Documentation for setting up docker containers for SAMPL challenges
      Creative Commons Attribution Share Alike 4.0 International
      •0•1•0•0•Updated Jan 19, 2021Jan 19, 2021

    • SAMPL-container-api

      Public
      discussion and planning of the API + metadata used for container-based workflows
      0•1•0•0•Updated Jan 8, 2021Jan 8, 2021

    • SAMPL5_logD_PredictionAnalysis

      Public
      Analysis of all predictions submitted for the distribution coefficient part of the SAMPL5 challenge
      OpenEdge ABL
      •
      MIT License
      •1•2•0•0•Updated Dec 7, 2017Dec 7, 2017