Informatics and Modeling Toolkits

• OEChem TK
  • Introduction
  • Theory
  • Examples
  • API
  • Release History
• Bioisostere TK
  • Theory
  • Bioisostere Examples
  • API
  • Release History
• OEDepict TK
  • Introduction
  • Theory
  • Examples
  • API
  • Appendices
  • Release History
• OEDocking TK
  • Introduction
  • Theory
  • OEDocking Examples
  • OEModels Examples
  • API
  • Release History
• Eon TK
  • Introduction
  • Theory
  • Eon Examples
  • API
  • Release History
• FastROCS™ TK
  • Introduction
  • FastROCS vs ROCS
  • Installation
  • FastROCS Architecture
  • Examples
  • Tutorials
  • API
  • Release History
• OEFF TK
  • Theory
  • OEFF Examples
  • OEFF API
  • Release History
• Grapheme™ TK
  • Introduction
  • Theory
  • Examples
  • Preliminary API
  • API
  • Release History
• GraphSim TK
  • Introduction
  • Theory
  • GPU Fast Fingerprints
  • Examples
  • API
  • Release History
• Lexichem TK
  • Theory
  • Examples
  • API
  • Release History
• OEMedChem TK
  • Introduction
  • Theory
  • Examples
  • API
  • Release History
• MolProp TK
  • Theory
  • Examples
  • API
  • Release History
• Omega TK
  • Theory
  • GPU-Omega
  • OMEGA Examples
  • API
  • Preliminary API
  • Release History
• Quacpac TK
  • Theory
  • Examples
  • API
  • Preliminary API
  • Release History
• Shape TK
  • Theory
  • Examples
  • API
  • Deprecated API
  • Release History
• SiteHopper TK
  • Introduction
  • GPU-Related Requirements
  • Examples
  • Preliminary OESiteHopper API
  • Release History
• Spicoli TK
  • Theory
  • API
  • Release History
• Spruce TK
  • Introduction
  • Theory
  • Iridium
  • Simple Macromolecular Preparation Workflow
  • Advanced Macromolecular Preparation Workflow
  • Examples
  • OESpruce API
  • Release History
• Szmap TK
  • Introduction
  • Theory
  • Examples
  • API
  • Release History
• Szybki TK
  • Introduction
  • Theory
  • API
  • Preliminary API
  • Examples: Working with Szybki TK
  • Release History
• Zap TK
  • Theory and Examples
  • API
  • Release History