CDD Vault integrates Lilly TuneLab AI models to accelerate drug discovery
Collaboration expands access to predictive AI tools within existing data management workflows
26 May 2026Product news
Collaborative Drug Discovery (CDD) has announced an agreement with Eli Lilly and Company (Lilly) to integrate Lilly TuneLab, a collaborative AI/ML drug discovery platform, into the CDD Vault informatics platform.
Under the agreement, biotech companies using CDD Vault will be able to access select Lilly predictive models within their existing scientific workflows, enabling more efficient, data-driven drug discovery.
What the Lilly TuneLab integration offers biotech companies
Lilly TuneLab was created by Lilly to accelerate biotech innovation by enabling participating companies to access models trained on decades of Lilly’s proprietary research data. Through this agreement, biotech companies that use CDD Vault will be able to utilize select Lilly predictive models within their natural scientific workflows, supporting more informed decision-making across discovery projects.
By integrating TuneLab directly into CDD Vault, CDD aims to advance its core vision of enabling collaboration across drug discovery teams and organizations. The integration is designed to provide broad access to research data and empower chemists and biologists to make informed, data-driven decisions using AI/ML models.
CDD Research Informatics Senior Scientist Dr. Peter Gedeck, said, “TuneLab’s models are synergistic with our innovations such as Zero Click Models, Generative Bioisosteres as well as Ultrafast Deep Learning similarity to SureChEMBL for novelty and Enamine libraries for convenient SAR-by-catalog.”
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CDD Vault
Collaborative Drug Discovery, Inc.CDD Vault is a hosted informatics software that enables researchers to intuitively organize and analyze both biological and chemical data, and to collaborate with partners anywhere in the world through a secure web interface.
Frequently asked questions
How does the integration of Lilly TuneLab with CDD Vault enhance AI/ML-driven drug discovery for biotech and pharmaceutical companies?
The integration of Lilly TuneLab with CDD Vault allows biotech companies using CDD Vault to access select Lilly predictive models that are trained on decades of Lilly’s proprietary research data. These AI/ML models, including ADMET models, are embedded directly into existing scientific workflows within the secure CDD Vault informatics platform.
This setup supports more efficient, data-driven drug discovery by enabling chemists and biologists to make informed decisions across discovery projects, perform virtual screening, and conduct AI-assisted design while maintaining a collaborative environment for pharmaceutical and biotechnology research.
What benefits does the Lilly TuneLab integration provide to biotech companies participating in CDD Vault’s collaborative drug discovery ecosystem?
Biotech companies that opt in to the Lilly TuneLab integration within CDD Vault gain the ability to use select Lilly predictive models seamlessly within their natural scientific workflows. This supports more informed decision-making across discovery projects by providing broad access to research data and AI/ML capabilities.
The integration advances CDD’s founding vision of web-based collaboration in drug discovery by empowering experimental and computational scientists to perform structure–activity relationship (SAR) analysis, virtual screening, and AI-assisted design in a trusted, secure software environment shared across biopharmaceutical organizations.
How are Lilly TuneLab’s predictive models synergistic with CDD’s existing AI and informatics innovations in CDD Vault?
Lilly TuneLab’s predictive models are described as synergistic with CDD’s AI and informatics innovations such as Zero Click Models, Generative Bioisosteres, and Ultrafast Deep Learning similarity to SureChEMBL for novelty assessment and Enamine libraries for convenient SAR-by-catalog. Together, these capabilities are intended to enhance how experimental and computational scientists use CDD Vault for SAR analysis, virtual screening, and AI-assisted design.
This synergy strengthens CDD Vault as a comprehensive, secure platform for collaborative, data-driven drug discovery across the biopharmaceutical and biotechnology sectors.