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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 1.8k 399

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 114 24

  3. maeparser maeparser Public

    maestro file parser

    C++ 30 30

  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 285

Repositories

Showing 10 of 117 repositories
  • 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 1,772 399 92 (2 issues need help) 10 Updated Nov 4, 2026
  • sketcher Public

    Schrödinger Sketcher

    schrodinger/sketcher's past year of commit activity
    C++ 43 BSD-3-Clause 23 3 11 Updated Nov 4, 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 13 7 0 0 Updated Oct 30, 2026
  • q-e Public
    schrodinger/q-e's past year of commit activity
    Fortran 5 GPL-2.0 0 0 0 Updated Sep 25, 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 Sep 17, 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 3 0 0 Updated Sep 17, 2026
  • ion-channels-efficacy Public

    Poses and analysis scripts for the ion channels efficacy project

    schrodinger/ion-channels-efficacy's past year of commit activity
    Python 0 0 0 0 Updated Sep 15, 2026
  • NodeGraphQt Public Forked from jchanvfx/NodeGraphQt

    A node graph UI framework written in python using Qt.

    schrodinger/NodeGraphQt's past year of commit activity
    Python 0 MIT 349 0 0 Updated Sep 1, 2026
  • action-send-mail Public Forked from dawidd6/action-send-mail

    ⚙️ A GitHub Action to send an email to multiple recipients

    schrodinger/action-send-mail's past year of commit activity
    JavaScript 0 MIT 227 0 0 Updated Aug 7, 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 Jun 9, 2026
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