explore → analyze → predict → design → omics → reports
chain tools.
build workflows.
keep the result.
pick the model, then drive it from chat, curl, the CLI, or an MCP client. the tools chain into a pipeline. signed-in runs from the web app, the terminal, curl or MCP all write to the same hash-chained record. every result names the tool, parameters and run that produced it. you leave with what the run made — a structure, a ranked table, an export.
how tools connect
each tool's output becomes the next tool's input.
- protein structure
protein structure → binding site detection
structures scored for druggable binding pockets
- docked complexes
molecular docking → binding energy
binding poses minimized and rescored with MM-GBSA energy estimates
- validated compounds
cheminformatics → ADMET prediction
cleaned compounds ready for property profiling
- active compounds
database search → property prediction
database hits profiled for drug-likeness
- designed sequences
antibody design → developability
designed antibodies profiled for manufacturability
- starting materials
retrosynthesis → starting-material check
routes end in starting materials checked against a purchasable-compound stock
worked workflows
one question can span several domains without you routing it.
- intermediate · 5 steps
binding site detection & characterization
Identify and characterize druggable binding sites on protein targets using AI-powered pocket detection
tool chainstructure prediction → molecular docking + 3 moreyou leave withRanked list of druggable binding sites with pocket properties, druggability scores, and docking-ready protein structures. - beginner · 5 steps
compound library validation & QC
Validate compound libraries for quality, diversity, and drug-likeness before screening campaigns
tool chain3 toolsyou leave withClean, validated compound library with quality metrics, diversity analysis, and flagged problematic structures. - beginner · 3 steps
compound passport & export
Dock and profile a lead compound, then package the runs into a compound passport and export it
tool chainmolecular docking → compound passport → export + 2 moreyou leave withA compound passport for the lead, plus an exported copy of it to share outside the platform.
beyond the catalog
no tool fits? the step still runs.
the domains
what each domain covers, and the plan that unlocks all of it.
- Explore — All public sources
- Analyze — CPU-based analysis
- Predict — Basic folding and docking
- Design — Fragment tools, cloning design, and antibody annotation
- Omics & Clinical — Basic QC and CRISPR guide design
- Reports & Automation — Basic passports and JSON/CSV/MD export
every plan side by side, workflow by workflow: compare plans.
- compound library validation & QC — 3 tools
- rescue a failed hit (poor solubility/toxicity) — 4 tools
- hit expansion & scaffold hopping — molecular docking + 5 more
the tier shown is the plan that unlocks every capability in this domain.
- target-based virtual screening — structure prediction, molecular docking + 6 more
- binding site detection & characterization — structure prediction, molecular docking + 3 more
the tier shown is the plan that unlocks every capability in this domain.
- AI-guided protein engineering — structure prediction + 3 more
- natural product-inspired drug design — molecular docking + 5 more
the tier shown is the plan that unlocks every capability in this domain.
- single-cell RNA-seq biomarker discovery — 2 tools
- AI-powered digital pathology — 1 tools
the tier shown is the plan that unlocks every capability in this domain.
- compound passport & export — molecular docking, compound passport, export + 2 more
the tier shown is the plan that unlocks every capability in this domain.
ready when you are