Skip to content
@schrodinger

Schrödinger, Inc.

README.md

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. pymol-open-source pymol-open-source Public

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

    C 1.5k 323

  2. gpusimilarity gpusimilarity Public

    A Cuda/Thrust implementation of fingerprint similarity searching

    C++ 107 26

  3. maeparser maeparser Public

    maestro file parser

    C++ 26 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 292

Repositories

Showing 10 of 112 repositories
  • sketcher Public

    Schrödinger 2D Sketcher

    schrodinger/sketcher’s past year of commit activity
    C++ 18 BSD-3-Clause 7 0 10 Updated Oct 27, 2025
  • 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 1,489 323 88 (2 issues need help) 7 Updated Oct 24, 2025
  • q-e Public
    schrodinger/q-e’s past year of commit activity
    Fortran 1 GPL-2.0 0 0 0 Updated Oct 20, 2025
  • 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 7 0 0 0 Updated Oct 2, 2025
  • 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 1,304 292 41 (20 issues need help) 1 Updated Sep 19, 2025
  • 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 Sep 19, 2025
  • infra-tester Public

    YAML configuration based infrastructure testing.

    schrodinger/infra-tester’s past year of commit activity
    Go 2 MIT 0 3 3 Updated Aug 28, 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
  • 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
View all repositories

Most used topics

Loading…