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@moldiscovery Molecular Discovery

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    13 repositories

    • rdkit

      Public
      The official sources for the RDKit library
      HTML
      •
      BSD 3-Clause "New" or "Revised" License
      •892•0•0•0•Updated Dec 16, 2024Dec 16, 2024

    • pymol-gridiso-plugin

      Public
      A PyMOL plugin allowing to interact with isosurfaces
      Python
      •0•0•0•0•Updated Nov 25, 2024Nov 25, 2024

    • opal

      Public
      SIMD C/C++ library for massive optimal sequence alignment (local/SW, infix, overlap, global)
      C++
      •
      MIT License
      •10•0•0•0•Updated Nov 13, 2024Nov 13, 2024

    • migra

      Public
      Python script to migrate git repositories to GitHub
      Python
      •
      MIT License
      •0•1•0•1•Updated Mar 20, 2024Mar 20, 2024

    • qnite

      Public
      A Qt/QML charting library
      C++
      •
      MIT License
      •18•0•2•0•Updated Mar 19, 2024Mar 19, 2024

    • bbapiclient

      Public
      Minimal Oauth client to interact with BitBucket rest api
      Python
      •
      MIT License
      •0•0•0•3•Updated Jul 25, 2023Jul 25, 2023

    • swing

      Public
      Command line tool used to manage upload and download versioned files from AWS S3
      gocligolangawsaws-s3
      Go
      •
      MIT License
      •0•1•0•0•Updated Mar 22, 2023Mar 22, 2023

    • CuteLogger

      Public
      C++
      •
      GNU Lesser General Public License v2.1
      •0•0•0•0•Updated Dec 14, 2022Dec 14, 2022

    • eigen-fork

      Public
      C++
      •
      Other
      •0•0•0•0•Updated Oct 19, 2022Oct 19, 2022

    • rapidjson-fork

      Public
      A fast JSON parser/generator for C++ with both SAX/DOM style API
      C++
      •
      Other
      •3.5k•0•0•0•Updated Oct 19, 2022Oct 19, 2022

    • IsoSpec

      Public
      Libraries for fine isotopic structure calculator.
      C++
      •
      Other
      •11•0•0•0•Updated Oct 18, 2022Oct 18, 2022

    • libmzqt

      Public
      C++
      •0•0•0•0•Updated Aug 25, 2022Aug 25, 2022

    • sars-cromatic

      Public
      Cavities collection and similarity map of the binding sites on SARS-CoV-2, SARS-CoV and MERS-CoV targets providing all 3D protein structures, cavities, ligands and interactors
      multi-targetscience-researchcovid-19sars-cov-2pocketomeprotein-targetsmulti-target-therapy
      0•0•0•0•Updated May 6, 2022May 6, 2022