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@OpenEye-Contrib

OpenEye Public Contributions

Popular repositories

  1. Triphic Triphic Public

    Pharmacophore tool based on OpenEye toolkits

    C++ 10

  2. TautEnum TautEnum Public

    Program to create tautomers and ionisation states relevant to physiological pH.

    C++ 9 5

  3. Flush Flush Public

    Various programs for using 2D fingerprints (clustering, neighbourhood analysis, etc.).

    C++ 8 1

  4. OEMicroservices OEMicroservices Public

    A collection of RESTful microservices built around OpenEye toolkits

    Python 6 3

  5. Molecular-List-Logic Molecular-List-Logic Public

    A web app to perform logic operations on various molecular lists

    Python 4

  6. Template_CoMFA Template_CoMFA Public

    C++ 4 3

Repositories

Showing 10 of 10 repositories
  • Flush Public

    Various programs for using 2D fingerprints (clustering, neighbourhood analysis, etc.).

    C++ 8 1 0 0 Updated Apr 24, 2020
  • Reflex3D Public

    3D flexible alignment of molecules.

    Python 3 3 0 0 Updated Apr 3, 2018
  • TT_Tauts Public

    Program to create a tautomer-independent compound representation, for use when registering compounds to a database.

    C++ 1 0 0 0 Updated Oct 21, 2017
  • Template_CoMFA Public
    C++ 4 BSD-3-Clause 3 0 1 Updated Aug 30, 2017
  • TautEnum Public

    Program to create tautomers and ionisation states relevant to physiological pH.

    C++ 9 5 0 0 Updated May 8, 2017
  • SmiV Public

    Program to display 2D structures of molecules, and create, edit and match SMARTS patterns. Think picto, with a slider.

    C++ 3 0 0 0 Updated Jan 25, 2017
  • OEMicroservices Public

    A collection of RESTful microservices built around OpenEye toolkits

    Python 6 Apache-2.0 3 2 1 Updated Jul 24, 2016
  • Triphic Public

    Pharmacophore tool based on OpenEye toolkits

    C++ 10 0 0 0 Updated Feb 22, 2016
  • SMG Public

    A program to generate 2D pharmacophore fingerprints.

    C++ 2 2 1 0 Updated Feb 17, 2016
  • Molecular-List-Logic Public

    A web app to perform logic operations on various molecular lists

    Python 4 BSD-3-Clause 0 0 0 Updated Sep 15, 2014

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