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Design Projects are shared workspaces where team members within an organization can collaborate on projects.They facilitate hypothesis-driven phases of a research project and provide a space to collate knowledge, designs and predictions in an organized and accessible hierarchy.By default, all work is visible to everyone within your organization.

Project Hierarchy

Boltz Lab provides a hierarchy organisation to organise Design Projects and provide structure:

1. Design Project

Worked on by a team of scientists, optimizing small-molecules against one or more Targets. Contains Experiments as sequential or parallel phases of the DMTA cycle.

2. Experiment

A single or collection of Virtual Screens used to assess Boltz binding poses and affinity scores for a particular hypothesis.

3. Virtual Screen

A collection of small-molecule designs for assessment against a Target. Can range from small bespoke designs to large commercial libraries.
A Design Project will contain multiple experiments, and an experiments will contain one or more Virtual Screens to fulfill its aim.

Creating a Design Project

Click Design Projects to get started. Image 2 Provide a project name, and select whether it is for designing small-molecule or protein binders. For this section, we will focus on small molecules. Image The in-built tutorial will guide you on how to Get started with your project, with additional guidance continuing in the Boltz Lab documentation Image

Design Project Guidance and Tips

Experiment Examples

Good experiment hypotheses are specific and actionable:
Name: Pocket A Hit Finding CampaignHypothesis: Identified Pocket A on target Kinase X as having potential for pharmacological function. Screening 60,000 generated molecules to find hit starting matter for a drug discovery campaign.

Virtual Screen Sources

Virtual screens can come from diverse sources:
  • Small, uploaded bespoke designs
  • Large commercial vendor or uploaded libraries
  • Generative design campaign, using Boltz AI models to propose new candidates
Once a virtual screen is complete, it can be Triaged within the platform.