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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 1.4k 314

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 107 26

  3. maeparser maeparser Public

    maestro file parser

    C++ 25 25

  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 291

Repositories

Showing 10 of 112 repositories
  • 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 10 2 0 1 Updated Aug 4, 2025
  • functional-response Public

    Supporting materials for the functional response manuscript: analysis code, machine-readable results, and FEP starting poses.

    schrodinger/functional-response’s past year of commit activity
    Shell 2 0 0 0 Updated Jul 18, 2025
  • 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 9 5 0 0 Updated Jul 17, 2025
  • sketcher Public

    Schrödinger 2D Sketcher

    schrodinger/sketcher’s past year of commit activity
    C++ 9 BSD-3-Clause 4 0 1 Updated Jul 16, 2025
  • waf Public Forked from weka-io/waf

    The Waf build system

    schrodinger/waf’s past year of commit activity
    Python 3 290 0 1 Updated Jul 16, 2025
  • kinome-wide-selectivity Public

    Initial and final configurations for the ligand FEP+ and protein residue mutation FEP+ simulations from Nature Communications publication (add DOI link)

    schrodinger/kinome-wide-selectivity’s past year of commit activity
    0 MIT 0 0 0 Updated Jul 14, 2025
  • csmiles Public

    An implementation of the CSMILES conformer line input system.

    schrodinger/csmiles’s past year of commit activity
    Python 0 0 0 0 Updated Jul 11, 2025
  • maeparser Public

    maestro file parser

    schrodinger/maeparser’s past year of commit activity
    C++ 25 MIT 25 1 0 Updated Jul 8, 2025
  • unbinding-kinetics-data Public
    schrodinger/unbinding-kinetics-data’s past year of commit activity
    0 0 0 0 Updated Jul 7, 2025
  • q-e Public
    schrodinger/q-e’s past year of commit activity
    Fortran 1 GPL-2.0 0 0 0 Updated Jul 1, 2025
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