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Schrodinger, Inc.

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  • Explore PyMOL Open Source

    Open-source foundation of the PyMOL molecular visualization system, maintained by Schrödinger. While PyMOL is a commercial product, we make most of its source code freely available.

  • Explore Maestro Parser

    Reader/writer for Schrödinger Maestro files.

  • Explore GPUSimilarity

    The commercial GPUSimilarity product, which is an RDKit-based GPU implementation of chemical fingerprint similarity searching.

Visit schrodinger.com to learn more.

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  1. pymol-open-source pymol-open-source Public

    Open-source foundation of the user-sponsored PyMOL molecular visualization system.

    C 1.1k 266

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 94 26

  3. maeparser maeparser Public

    maestro file parser

    C++ 23 21

  4. fixed-data-table-2 fixed-data-table-2 Public

    A React table component designed to allow presenting millions of rows of data.

    JavaScript 1.3k 289

Repositories

Showing 10 of 106 repositories
  • fep-restraints Public

    Tools to add restraints to FEP runs (currently only AB-FEP). Includes a workflow to determine reference structures and restraint widths from plain MD simulations.

    schrodinger/fep-restraints’s past year of commit activity
    Python 5 4 0 0 Updated Jul 24, 2024
  • linux_package_requirement Public

    Script to check required packages for Schrödinger suite on Linux machine

    schrodinger/linux_package_requirement’s past year of commit activity
    Shell 5 2 0 2 Updated Jul 23, 2024
  • pymol-open-source Public

    Open-source foundation of the user-sponsored PyMOL molecular visualization system.

    schrodinger/pymol-open-source’s past year of commit activity
    C 1,104 266 84 (1 issue needs help) 4 Updated Jul 14, 2024
  • protein-fep-benchmark Public

    Data and scripts for the Protein Binding FEP+ benchmark manuscript.

    schrodinger/protein-fep-benchmark’s past year of commit activity
    Python 0 0 0 0 Updated Jul 1, 2024
  • infra-tester Public

    YAML configuration based infrastructure testing.

    schrodinger/infra-tester’s past year of commit activity
    Go 2 MIT 0 3 0 Updated Jun 26, 2024
  • fixed-data-table-2 Public

    A React table component designed to allow presenting millions of rows of data.

    schrodinger/fixed-data-table-2’s past year of commit activity
    JavaScript 1,291 289 40 (20 issues need help) 7 Updated Jun 24, 2024
  • sketcher Public

    Schrödinger 2D Sketcher

    schrodinger/sketcher’s past year of commit activity
    C++ 4 BSD-3-Clause 3 0 0 Updated May 29, 2024
  • q-e Public
    schrodinger/q-e’s past year of commit activity
    Fortran 1 GPL-2.0 0 0 0 Updated May 8, 2024
  • gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    schrodinger/gpusimilarity’s past year of commit activity
    C++ 94 BSD-3-Clause 26 7 0 Updated Jan 24, 2024
  • hacking-the-gender-stack-2024-demo Public
    schrodinger/hacking-the-gender-stack-2024-demo’s past year of commit activity
    Python 0 0 0 0 Updated Jan 12, 2024
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