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Schrödinger, 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 1.6k 371

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 111 24

  3. maeparser maeparser Public

    maestro file parser

    C++ 28 29

  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 288

Repositories

Showing 10 of 114 repositories
  • q-e Public
    schrodinger/q-e’s past year of commit activity
    Fortran 4 GPL-2.0 0 0 0 Updated Apr 9, 2026
  • sketcher Public

    Schrödinger 2D Sketcher

    schrodinger/sketcher’s past year of commit activity
    C++ 28 BSD-3-Clause 13 0 7 Updated Apr 9, 2026
  • 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 1,646 371 88 (2 issues need help) 5 Updated Mar 25, 2026
  • integrin-conformational-selectivity Public

    Poses and analysis scripts for the integrin conformational selectivity modeling project

    schrodinger/integrin-conformational-selectivity’s past year of commit activity
    Python 0 0 0 0 Updated Mar 24, 2026
  • 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 13 2 0 0 Updated Mar 23, 2026
  • 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 12 5 0 0 Updated Mar 12, 2026
  • maeparser Public

    maestro file parser

    schrodinger/maeparser’s past year of commit activity
    C++ 28 MIT 29 2 1 Updated Mar 10, 2026
  • public_ABFEP_data Public
    schrodinger/public_ABFEP_data’s past year of commit activity
    Shell 5 MIT 2 1 0 Updated Mar 4, 2026
  • rdkit Public Forked from rdkit/rdkit

    Schrodinger fork of RDKit with local patches.

    schrodinger/rdkit’s past year of commit activity
    HTML 0 BSD-3-Clause 1,004 0 0 Updated Mar 1, 2026
  • waf Public Forked from weka-io/waf

    The Waf build system

    schrodinger/waf’s past year of commit activity
    Python 3 290 0 0 Updated Feb 11, 2026
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