Platform — Ivy Biosciences

Open-source AI tools for every stage of drug discovery — from target identification to synthesis planning. Chain scientific protocols into complete workflows.

Capabilities

• Protein structure prediction — fast, single-sequence input
• Molecular docking — AI-powered and physics-based approaches
• ADMET prediction — multi-endpoint absorption, distribution, metabolism, excretion, and toxicity
• De novo molecular design — generative AI for novel drug candidates
• Retrosynthetic planning — AI-driven synthesis route prediction
• Binding site detection — ML-based druggability scoring
• Literature mining — biomedical NER and research discovery
• Genomics — single-cell RNA-seq analysis and omics workflows

What is the Ivy Biosciences platform?

Ivy Biosciences is an open-source AI platform for computational drug discovery. It provides AI models for protein structure prediction, molecular docking, ADMET and toxicity screening, and de novo molecular design. Researchers can chain these tools into complete workflows from target identification through synthesis planning.

How does AI accelerate drug discovery?

Traditional drug discovery takes 10-15 years and costs an average of $2.6 billion per approved drug (Tufts CSDD). AI models can screen millions of molecular candidates virtually in hours, predict protein structures without wet-lab crystallography, and estimate ADMET properties before synthesis, reducing the time from target to candidate from years to months while cutting failure rates at each stage.

Is the platform free for academic researchers?

Yes. The free Seed tier includes 500 credits per month, access to all core AI models, and full workflow capabilities — no credit card required. Students with a verified .edu email get enhanced free access.

What computational biology tools are available?

The platform includes a comprehensive set of tools across the drug discovery pipeline: protein structure prediction, molecular docking, ADMET prediction, de novo molecular design, retrosynthesis planning, binding site detection, genomics analysis, and literature mining. All tools run on cloud GPU infrastructure with no local setup required.

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.