OEApplications 2025.2

• Highlights of Applications Release 2025.2
  • Shape: Features Extension
  • Saiph TK: New Toolkit for ETL
  • OEChem TK and Spruce TK: Improvements to CIF File Format Support
  • Supported Platforms
  • Related Application Versions
• Detailed Release Notes 2025.2
  • AFITT
  • BROOD
    • Related Toolkit Information
      • OEBioisostere TK 4.2.1
        • New Features
        • Minor Bug Fixes
  • EON
    • Related Toolkit Information
      • Eon TK 3.1.2
      • Zap TK 2.5.2
  • OEDOCKING
    • Related Toolkit Information
      • OEDocking TK 4.3.4
        • Minor Bug Fixes
  • OMEGA
    • Related Toolkit Information
      • Omega TK 6.1.1
        • Minor Bug Fixes
      • MolProp TK 2.6.7
  • PICTO
    • Related Toolkit Information
      • OEDepict TK 2.6.0
  • PKA-PROSPECTOR
  • QUACPAC
    • Related Toolkit Information
      • Quacpac TK 2.2.7
        • Minor Bug Fixes
  • ROCS
    • New Features
    • Related Toolkit Information
      • Shape TK 3.9.0
        • New Features
        • Minor Bug Fixes
  • SITEHOPPER
    • Related Toolkit Information
      • Sitehopper TK 2.1.3
  • SPRUCE
    • New Features
    • Minor Bug Fixes
    • Related Toolkit Information
      • Spruce TK 1.8.0
        • New Features
        • Major Bug Fixes
        • Minor Bug Fixes
        • Documentation Changes
  • SZMAP
    • Related Toolkit Information
      • Szmap TK 1.7.3
  • SZYBKI
    • Related Toolkit Information
      • Szybki TK 2.9.1
• Previous Release Highlights
  • Highlights of Applications Release 2025.1
    • FastROCS: Grid Query Support
    • Bioisostere TK: Feature Extensions
    • SZYBKI: Robust Protein–Ligand Optimization
    • Supported Platforms
    • Related Application Versions
  • Release Highlights 2024.2.1
  • Release Highlights 2024.2.0
    • OMEGA: Thompson Sampling for Torsion Driving
    • BROOD: Bioisosteric Fragment Replacement in Macrocyclic Peptides
    • Eon TK: New Toolkit for Overlay Optimization with Shape and Charge Density
  • Supported Platforms
  • Related Application Versions
  • Release Highlights 2024.1.3
  • Release Highlights 2024.1.0
    • EON: Overlay Optimization with Shape and Charge Density
    • FLYNN: Ligand fitting for Cryo-EM
    • Hydrogen Placement Updates in SPRUCE
    • Bioisostere TK: New Toolkit for Bioisosteric Fragment Replacement
  • Supported Platforms
  • Related Application Versions
  • Release Highlights 2023.2.3
    • Supported Platforms
    • Related Application Versions
  • Release Highlights 2023.1.1
  • Release Highlights 2023.1.0
    • Supported Platforms
    • Related Application Versions
  • Release Highlights 2022.2.2
  • Release Highlights 2022.2.1
    • MCS based fix during OMEGA Conformer Generation
    • New ShapeFit Algorithm for Pose Prediction
    • Protein-ligand Optimization with ff14SB forcefield and PB solvent model
    • New BROOD Fragment Databases
    • Supported Platforms
    • Related Application Versions
    • General Notices
  • Release Highlights 2022.1
    • Enhanced Stereo Information Support
    • Sheffield Solvation Model for Proteins
    • Spruce Filter and Design Unit Validation
    • Multistate Heuristic pKa Model
    • Supported Platforms
    • Related Application Versions
    • General Notices
  • Release Highlights 2021.2
    • SiteHopper: New Toolkit for Protein Binding Site Comparison
    • SZYBKI: OpenFF-Sage force field support
    • OEChem: MMCIF and CIF writers
    • Supported Platforms
    • Related Application Versions
    • General Notices
  • Release Highlights 2021.1
    • OESiteHopper: Application Suite for Rapid Protein Binding Site Comparison
    • OEDocking: Make Receptor (Receptors in Design Unit)
    • VIDA 5: Major Update and OEDesignUnit support
    • Supported Platforms
    • Related Application Versions
    • General Notices
  • Release Highlights 2020.2.2
  • Release Highlights 2020.2
    • OMEGA: New fragment library
    • OEDOCKING: Improved receptors
    • SZYBKI: A new protein force field
    • Supported Platforms
    • Related Application Versions
    • General Notices
  • Release Highlights 2020.1.1
  • Release Highlights 2020.1
  • Release Highlights 2020.0
    • OMEGA: GPU-OMEGA - GPU-accelerated torsion driving
    • SPRUCE: Protein Loop Modeling
    • SZYBKI: Custom SMIRNOFF
    • General Notices
  • Release Highlights 2019.Nov
    • SPRUCE: Application Suite for Biomolecular Structure Preparation
    • SZMAP: Simplified Workflow
    • SZYBKI: SMIRNOFF
    • General Notices
    • Platform Support
  • Release Highlights 2019.May
    • Windows Installer
    • OEZ Compressed File Format
    • General Notices
    • Platform Support
  • OEApplications 2018.Nov
    • First release of all OpenEye Applications as a single package
    • ROCS: ROCS
    • QUACPAC: Tautomers
    • General Notices
    • Platform Support