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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 1.2k 281

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 98 26

  3. maeparser maeparser Public

    maestro file parser

    C++ 23 23

  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 290

Repositories

Showing 10 of 107 repositories
  • fep-restraints Public

    Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations.

    schrodinger/fep-restraints’s past year of commit activity
    Python 6 4 0 0 Updated Oct 31, 2024
  • q-e Public
    schrodinger/q-e’s past year of commit activity
    Fortran 1 GPL-2.0 0 0 0 Updated Oct 29, 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 2 0 0 0 Updated Oct 24, 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 1,292 290 40 (20 issues need help) 6 Updated Oct 24, 2024
  • PReorg-FEP_Validation_JCIM Public

    Data for "Leveraging the Thermodynamics of Protein Conformations in Drug Discovery" submitted to JCIM

    schrodinger/PReorg-FEP_Validation_JCIM’s past year of commit activity
    Python 0 MIT 1 0 0 Updated Sep 25, 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 7 2 0 1 Updated Sep 20, 2024
  • sketcher Public

    Schrödinger 2D Sketcher

    schrodinger/sketcher’s past year of commit activity
    C++ 5 BSD-3-Clause 3 0 1 Updated Sep 12, 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 1,196 281 84 (1 issue needs help) 7 Updated Sep 5, 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
  • gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    schrodinger/gpusimilarity’s past year of commit activity
    C++ 98 BSD-3-Clause 26 7 0 Updated Jan 24, 2024
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