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@OpenEye-Contrib

OpenEye Public Contributions

Popular repositories

  1. Triphic Public

    Pharmacophore tool based on OpenEye toolkits

    C++ 7

  2. A collection of RESTful microservices built around OpenEye toolkits

    Python 5 3

  3. Flush Public

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

    C++ 5 1

  4. A web app to perform logic operations on various molecular lists

    Python 4

  5. TautEnum Public

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

    C++ 3 3

  6. SmiV Public

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

    C++ 3

Repositories

  • Flush

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

    C++ 5 1 0 0 Updated Apr 24, 2020
  • Reflex3D

    3D flexible alignment of molecules.

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

    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
  • C++ 3 BSD-3-Clause 3 0 1 Updated Aug 30, 2017
  • TautEnum

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

    C++ 3 3 0 0 Updated May 8, 2017
  • SmiV

    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 26, 2017
  • OEMicroservices

    A collection of RESTful microservices built around OpenEye toolkits

    Python 5 3 2 1 Updated Jul 24, 2016
  • Triphic

    Pharmacophore tool based on OpenEye toolkits

    C++ 7 0 0 0 Updated Feb 22, 2016
  • SMG

    A program to generate 2D pharmacophore fingerprints.

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

    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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C++ Python

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