License Dependencies and Tokens
Materials Science
NOTE: Certain panels have options that require additional licenses. Those are listed in Optional column in the table below.
| Product | Product Dependencies | Optional | Library Tokens | GPU | Notes |
| AutoQSAR | 1 | Not required | AutoQSAR and DeepAutoQSAR are both included with a DeepAutoQSAR license | ||
| AutoTS | Jaguar, MacroModel | 3 | Not required | ||
| Canvas | 1 | Not required | A Canvas license is included with Schrödinger software purchase | ||
| Crystal Structure Prediction | All dependencies are included | Not Applicable | Required | ||
| DeepAutoQSAR | 1 | Required | AutoQSAR and DeepAutoQSAR are both included with a DeepAutoQSAR license | ||
| Desmond | Not Applicable | Required | Constant pH in Desmond requires an FEP+ license to run | ||
| Jaguar | NBO is required for NBO calculations | 2 | Not required | ||
| Jaguar pKa | Jaguar | MacroModel is highly recommended as it is required for conformational search | 3 | Not required | |
| Jaguar Spectroscopy | All dependencies are included | 1 | Not required | ||
| MacroModel | 2 | Not required | |||
| QikProp | 2 | Not required | |||
| Active Learning Optoelectronics | Active Learning Access, MS Maestro, Jaguar | DeepAutoQSAR, MS Informatics | Not required | ||
| GA Optoelectronics | Jaguar, DeepAutoQSAR, MS Informatics, Macromodel, and/or Canvas are required for certain modes in GA Optoelectronics | 10 | Not required | ||
| MS CG | MS Maestro, Desmond | 1 | Required | ||
| MS Complex Bilayer Builder | Desmond | ConfGen | 1 | Required | |
| MS DefectPro | MS Maestro, Quantum Espresso Interface | 1 | Not required | ||
| MS Dielectric | MS Maestro, Desmond, Jaguar | MS Force Field Applications | 1 | Required | |
| MS Force Field Applications | Optional (see note) | MS Force Field Applications include OPLS 4, OPLS 5, OPLS 5+ metals, OPLS Force Field Builder, MPNICE, QRNN and MLFF. Not for Life Science customers (see Force Field Bundle). A GPU is required for any Desmond simulation. | |||
| MS Formulation ML | MS Maestro | MS Informatics | 1 | Optional (see note) | Formulation Machine Learning panel supports running jobs on both CPU and GPU nodes |
| MS DeNovoML | MS Maestro, MS Informatics | AutoQSAR | 1 | Optional (see note) | REINVENT panel supports running jobs on both CPU and GPU nodes |
| MS Informatics | MS Maestro, Canvas | MS Force Field Applications, Desmond | 1 | Optional (see note) | MS Informatics is required for the MD Descriptors panel, which launches Desmond jobs that require GPU |
| MS Layered Device ML | MS Maestro | MS Informatics | 1 | Optional (see note) | OLED Device Machine Learning panel supports running jobs on both CPU and GPU nodes |
| MS Microkinetics | MS Maestro | 1 | Not required | ||
| MS Mobility | MS Maestro, Jaguar, QSite | 1 | Not required | ||
| MS Morph | MS Maestro, Desmond | MS Force Field Applications | 1 | Required | |
| MS Penetrant | MS Maestro, Desmond | MS Force Field Applications | 1 | Required | |
| MS Reactivity | MS Maestro, Jaguar | Canvas, MacroModel, MS Force Field Applications | 1 | Not required | |
| MS Reactive Interface Simulator | MS Maestro, MacroModel, Desmond | MS Force Field Applications, Jaguar | 1 | Required | |
| MS Surface | MS Maestro | 1 | Not required | ||
| MS Transport | MS Maestro, Desmond | MS Force Field Applications | 1 | Required | |
| Quantum Espresso Interface (third party) | MS Maestro | 1 | Not required | Quantum Espresso requires installation of Quantum Espresso (third party) and the Schrödinger Quantum Espresso license |