About Ivy Biosciences

Ivy Biosciences builds open-source AI tools for computational drug discovery. From protein folding to synthesis planning — powerful computation, accessible to everyone.

What We Do

We orchestrate 45+ computational biology models into complete pre-clinical workflows. Researchers use our platform for protein structure prediction, molecular docking, ADMET screening, de novo molecular design, retrosynthesis, genomics, and literature mining.

Open Source

Licensed under FSL-1.1-Apache-2.0 (converts to Apache 2.0 after 2 years). We believe breakthrough treatments shouldn't be locked behind enterprise software paywalls.

Ivy Biosciences — AI-Powered Drug Discovery Platform

Platform Capabilities

• Protein structure prediction and analysis
• Molecular docking and pose generation
• ADMET and toxicity screening
• De novo molecular generation and design
• Retrosynthetic route planning
• Fragment-based drug design and scaffold decoration
• Binding site detection and druggability scoring
• Genomics, proteomics, and single-cell RNA analysis
• Biomedical literature mining
• Compound and target passport reports

Pricing

Free Seed tier with 500 credits per month. Paid plans (Grow, Flourish) for teams needing higher throughput. Student plan with free enhanced access for verified .edu emails. Enterprise plans with dedicated support and custom integrations.

Use Cases

• Drug Discovery — screen millions of compounds in hours with AI-powered virtual screening
• Molecular Optimization — optimize lead compounds for efficacy, safety, and drug-likeness
• Target Identification — discover novel drug targets with bioinformatics and ML
• ADMET Prediction — predict absorption, metabolism, and toxicity before synthesis
• Chemical Library Design — build diverse, drug-like libraries for high-throughput screening
• Biomarker Discovery — identify treatment-response biomarkers with multi-omic analysis

Documentation

Comprehensive guides covering a comprehensive set of tools organized by the drug discovery pipeline: target identification, structure analysis, hit discovery, lead optimization, ADMET and safety, and synthesis planning. Includes quickstarts, API references, and CLI documentation.

Open source under FSL-1.1-Apache-2.0 (converts to Apache 2.0 after 2 years). Self-hosting documentation available at ivybiosciences.com/docs.