License Dependencies and Tokens
Small Molecule Drug Design
NOTE: Certain panels have options that require additional licenses. Those are listed in Optional column in the table below.
- by Product
- by Workflow
- Schrödinger Products typically have their own license by the same name as the product (ex. Desmond requires a Desmond license). You can find the license name by clicking on the Product name below. You need either the product license or the number of Library Tokens listed below.
- In addition, if the Product has Product Dependencies, you need licenses for those products as well (ex. IFD-MD requires an IFD-MD license as well as Desmond and Watermap licenses).
- The Optional columns lists products that are recommended (ex. Epik is recommended for Glide SMILES input) or required for certain features of a product (ex. Ligprep requires Epik for ionization / tautomerization).
| Product | Product Dependencies | Optional | Library Tokens | GPU | Notes |
| Active Learning Access | Not Applicable | Required | Active Learning Access is a tool that trains a machine learning (ML) model on physics-based data, such as FEP+ predicted affinities or Glide docking scores, iteratively sampled from a full library. | ||
| AutoQSAR | 1 | Not required | AutoQSAR and DeepAutoQSAR are both included with a DeepAutoQSAR license | ||
| AutoDesigner | Epik, Glide, LigPrep, OPLS Force Field Bundle, Phase | Not Applicable | Not required | ||
| AutoTS | Jaguar, MacroModel | 3 | Not required | ||
| Canvas | 1 | Not required | A Canvas license is included with Schrödinger software purchase | ||
| ConfGen | 1 | Not required | |||
| Core Hopping | Shape Screening | 5 | Not required | ||
| 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 | ||
| Epik | 1 | Not required | Epik license includes both Epik and Epik Classic | ||
| FEP+ | All dependencies are included | Not Applicable | Required | ||
| Field-based QSAR | 5 | Not required | |||
| Force Field Bundle (includes OPLS and Force Field Builder) | All dependencies are included | Not Applicable | Optional (see note) | Force Field Bundle includes OPLS4, OPLS5, MPNICE, QRNN, Force Field Builder. Not for Materials Science customers (see MS Force Field Applications). A GPU is required for any Desmond simulation. | |
| FPsim-GPU | Not Applicable | Required | |||
| Glide | Epik is recommended for SMILES input | 5 | Not required | ||
| IFD-MD | Desmond, WaterMap | Not Applicable | Required | ||
| 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 | ||
| KNIME | Not Applicable | Not required | |||
| LigPrep | Epik is required for ionization / tautomerization | 1 | Not required | ||
| MacroModel | 2 | Not required | |||
| Macro pKa | Jaguar, MacroModel, Epik | Not Applicable | Not required | ||
| Membrane Permeability | Epik, LigPrep, Prime, QikProp | 8 | Not required | ||
| Phase | Epik is required for database creation, MacroModel is recommended | 5 | Not required | Hypothesis creation with E-pharmacophores requires 5 PHASE_FEATURE | |
| Predictive Tox | Not required | Predictive Tox is a service. Computational resources and licenses are all included. Discuss with your account manager for details. | |||
| Prime | 8 | Not required | |||
| PrimeX | 8 | Not required | |||
| QikProp | 2 | Not required | |||
| QSite | Jaguar | 4 | Not required | ||
| Shape Screening | 1 or 8 (see note) | Not required | CPU mode checks out 1 token and GPU mode checks out 8 tokens | ||
| SiteMap | 1 | Not required | |||
| WaterMap | Not Applicable | Required |
- Schrödinger Workflows can only be run if you have the products listed in the Product Dependencies or by using the number of Library Tokens listed below (ex. e-Pharmacophores can be run if you have a Phase license or using 5 library tokens).
- The Optional columns lists products that are recommended (ex. Epik is recommended for Glide SMILES input) or required for certain features of a product (ex. Ligprep requires Epik for ionization / tautomerization).
| Workflow | Product Dependencies | Optional | Library Tokens | GPU | Notes |
| Active Learning Glide | Active Learning Access, Epik, Glide | Not Applicable | Required | ||
| Active Learning FEP+ | Active Learning Access, FEP+, Desmond | Not Applicable | Required | ||
| Cofolding (Beta) | LiveDesign, LiveDesign ML | Not Applicable | Not required | ||
| Covalent Docking | ConfGen, Glide, MacroModel, Prime | 8 | Not required | ||
| De Novo Design Workflow | Active Learning Access, Epik, Glide, AutoDesigner, LigPrep, OPLS Force Field Bundle, FEP+, Desmond, Phase | Not Applicable | Required | ||
| e-Pharmacophores | Phase | 5 | Not required | ||
| E-sol (Beta) | Epik, Jaguar, MacroModel | OPLS is optional / recommended | 2 | Not required | 24 cores minimum is recommended for this workflow |
| Generative Glide (Beta) | Active Learning Access, Glide, AutoQSAR | Not Applicable | Required | ||
| GlideMap (Beta) | Glide, PrimeX | Jaguar, Prime are optional / recommended | 8 | Not required | |
| Glide WS | Glide, WaterMap | 5 | Not required | ||
| Induced Fit Docking | Glide, Prime | 8 | Not required | ||
| Ligand Designer | Glide, Phase | Prime, FPsim-GPU, LigPrep are optional / recommended | 5 or 10 (see note) | Not required | Ligand Designer uses 5 library tokens in a standard workflow and 10 library tokens in a fast workflow |
| LiveDesign ML (Beta) | LiveDesign | Not Applicable | Not required | ||
| Macrocycle Docking (Beta) | Glide, LigPrep, Prime | 8 | Not required | ||
| Macrocycle Permeability | Membrane Permeability, Prime | 8 | Not required | ||
| Macrocycle Sampling | Prime | 8 | Not required | ||
| Macrocycle Stability | Prime | 8 | Not required | ||
| MxMD SiteMap Workflow | Desmond, SiteMap | Not Applicable | Required | ||
| Pathfinder / Reaction-based enumeration | 0 | Not required | Pathfinder / Reaction-based enumeration is included with Maestro access license | ||
| Phenix Workflow (third party) | OPLS Force Field Bundle, Prime | 8 | Not required | Phenix is third party software that needs to be installed separately | |
| Prime MM-GBSA | Prime | 8 | Not required | ||
| Protein Preparation | Epik, Prime are optional / recommended | 1 | Not required | ||
| Rapid Binding Site Similarity (RBSS) | Shape Screening, Prepared Screening Libraries | Not Applicable | Not required | A download of Schrödinger's Prepared Screening Libraries is required. Learn more. | |
| RetroSynthesis | LiveDesign, LiveDesign ML | Not Applicable | Not required | ||
| Virtual Screening (VSW) DEPRECATED | Glide, LigPrep | Epik, MacroModel, Prime, QikProp are optional / recommended | 5 | Not required |