Home Original page

Schrödinger, Inc.

Schrodinger GitHub

Learn More

  • 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.

Pinned Loading

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

    C 1.6k 369

  2. A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 111 24

  3. maestro file parser

    C++ 28 29

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

    JavaScript 1.3k 289

Repositories

Showing 10 of 114 repositories

  • schrodinger/sketcher’s past year of commit activity

    C++

    27

    BSD-3-Clause

    13 0 7

    Updated Mar 31, 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

  • schrodinger/integrin-conformational-selectivity’s past year of commit activity

    Python 0 0

    0 0

    Updated Mar 24, 2026

  • 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

  • schrodinger/maeparser’s past year of commit activity

    C++

    28

    MIT

    29 2 1

    Updated Mar 10, 2026

  • 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

    1,001 0 0

    Updated Mar 1, 2026

  • schrodinger/waf’s past year of commit activity

    Python

    3 290 0 0

    Updated Feb 11, 2026

  • 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