Getting Started
Getting Started
Welcome to VERA! Follow this step-by-step guide to get up and running with Virtual Execution and Reaction Architecture in under an hour.
Before You Begin
Make sure you have everything ready for a smooth VERA experience
System Requirements
- Windows 10/11 (64-bit) - primary platform
- 8GB RAM minimum (16GB recommended for MD/quantum)
- 50GB free disk space minimum for data and engines
- NVIDIA GPU optional (CUDA 12.1+ for Vina GPU acceleration)
Software Dependencies
- Python 3.8+ with PySide6 Qt framework
- AutoDock Vina (CPU and GPU versions)
- GROMACS molecular dynamics suite
- RDKit and OpenBabel cheminformatics
- Pandas, NumPy, Scikit-learn for data/ML
- Plotly for interactive visualizations
Sample Data & Resources
- Protein structures (PDB format) for docking/MD
- Small molecules (SDF/MOL format) for testing
- Example workflows (.vsw files) for each engine
- Test datasets for machine learning nodes
- Plugin examples (hello_vera) for development
Step-by-Step Guide
Follow these steps in order to get started with VERA
Step 1: Get License
Contact us to get your VERA license
Estimated Time
5 minutes
What you'll learn:
- Contact us for licensing
- Receive download link
- Download installer
- Install application
Step 2: Quick Start Tutorial
Build your first workflow in 10 minutes
Estimated Time
10 minutes
What you'll learn:
- Interface overview
- Create first node
- Connect nodes
- Run workflow
Step 3: Interface Overview
Master the VERA workspace
Estimated Time
15 minutes
What you'll learn:
- Canvas navigation
- Toolbox usage
- Menu system
- View controls
Step 4: Example Workflows
Explore pre-built workflow templates
Estimated Time
20 minutes
What you'll learn:
- Molecular docking
- Molecular dynamics
- Quantum chemistry
- Data analysis