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    • sketcher

      Public
      Schrödinger 2D Sketcher
      C++
      923010Updated Feb 22, 2026Feb 22, 2026
    • Open-source foundation of the user-sponsored PyMOL molecular visualization system.
      C
      3461.6k886Updated Feb 21, 2026Feb 21, 2026
    • waf

      Public
      The Waf build system
      Python
      284301Updated Feb 11, 2026Feb 11, 2026
    • A React table component designed to allow presenting millions of rows of data.
      JavaScript
      2881.3k415Updated Feb 7, 2026Feb 7, 2026
    • Tools to add restraints to FEP runs. Includes a workflow to determine reference structures and restraint widths from plain MD simulations.
      Python
      51100Updated Jan 24, 2026Jan 24, 2026
    • Schrodinger-developed 2D Coordinate Generation
      C++
      3246231Updated Jan 15, 2026Jan 15, 2026
    • maeparser

      Public
      maestro file parser
      C++
      272821Updated Jan 13, 2026Jan 13, 2026
    • stack-the-future-demo

      Public
      HTML
      1000Updated Jan 12, 2026Jan 12, 2026
    • Script to check required packages for Schrödinger suite on Linux machine
      Shell
      21300Updated Jan 7, 2026Jan 7, 2026
    • q-e

      Public
      Fortran
      0300Updated Dec 22, 2025Dec 22, 2025
    • HTML
      2100Updated Dec 11, 2025Dec 11, 2025
    • YAML configuration based infrastructure testing.
      Go
      0333Updated Nov 20, 2025Nov 20, 2025
    • Data and scripts for the Protein Binding FEP+ benchmark manuscript.
      Python
      1800Updated Oct 2, 2025Oct 2, 2025
    • Supporting materials for the functional response manuscript: analysis code, machine-readable results, and FEP starting poses.
      Shell
      0300Updated Jul 18, 2025Jul 18, 2025
    • Initial and final configurations for the ligand FEP+ and protein residue mutation FEP+ simulations from Nature Communications publication (add DOI link)
      0100Updated Jul 14, 2025Jul 14, 2025
    • csmiles

      Public
      An implementation of the CSMILES conformer line input system.
      Python
      31300Updated Jul 11, 2025Jul 11, 2025
    • 0200Updated Jul 7, 2025Jul 7, 2025
    • End-to-end modular samples for Terraform on GCP.
      HCL
      1.2k000Updated Jun 2, 2025Jun 2, 2025
    • Data for "Leveraging the Thermodynamics of Protein Conformations in Drug Discovery" submitted to JCIM
      Python
      2200Updated Nov 20, 2024Nov 20, 2024
    • A Cuda/Thrust implementation of fingerprint similarity searching
      C++
      2411070Updated Jan 24, 2024Jan 24, 2024
    • Python
      0000Updated Jan 12, 2024Jan 12, 2024
    • Starter template for a Django project
      Jupyter Notebook
      0000Updated Jan 10, 2024Jan 10, 2024
    • Descriptor computation(chemistry) and (optional) storage for machine learning
      Python
      68100Updated Nov 3, 2023Nov 3, 2023
    • PyMOL Testing Framework
      Python
      5720Updated Sep 1, 2023Sep 1, 2023
    • Python
      1108Updated Aug 1, 2023Aug 1, 2023
    • JavaScript
      31014Updated Jul 12, 2023Jul 12, 2023
    • The public versio
      Python
      168230Updated Jun 26, 2023Jun 26, 2023
    • Shell
      2511Updated Apr 25, 2023Apr 25, 2023
    • Jupyter Notebook
      3100Updated Jan 20, 2023Jan 20, 2023
    • Jupyter Notebook
      3000Updated Jan 20, 2023Jan 20, 2023