TLDR? - We completely understand!
We have tried to design the platform to be easy to use. So getting started with your first prediction is a good way of learning as you go. This Quickstart guide will get your first prediction submitted as quickly as possible.
Essential: Sandbox vs Design Projects
| Feature | Sandbox | Design Projects |
|---|---|---|
| Best for | Quick experiments, validation | Systematic campaigns, team collaboration |
| Visibility | Private (you only) | Shared with team |
| Virtual Screening | ✗ | ✓ (thousands of molecules) |
| Generative Design | ✗ | ✓ (AI-powered molecular generation) |
| Affinity Prediction | ✓ | ✓ |
| Constraints | ✓ | ✓ |
| Results Storage | Personal history | Project-organized |
Start in Sandbox to validate your target and binding site, then move to a Design Project when you’re ready to screen compound libraries, run generative campaigns, or simply manually test different hypotheses.
Quick Start
1
Open Sandbox
Navigate to Sandbox from the Welcome box, or from the top menu bar
2
New Prediction
Click + New Prediction to launch the prediction wizard
3
Add Components
Import your protein (from PDB or sequence) and ligand (SMILES, structure, or CCD code)
4
Set Constraints (Optional)
Add bond, contact, or pocket constraints to guide the prediction
5
Submit
Click Submit Prediction and results typically arrive in 1-3 minutes