The chemistry build.

2,486 modules in build covering computational chemistry end to end: docking, molecular dynamics, reaction handling, formulation, and ADMET. Each module exposes a machine-readable interface for AI-agent operation and is verified against its reference engine.

inputstructure or dataset → an AI agent operating the catalog → outputverified result
2,486
Modules in build
1,147
Corpus entries
39
Families
one call
Model to result

Workflow

What a run looks like.

Every capability below is one entry in the catalog, one record in the build graph, and one call from the model you already use.

01

Bring the molecule

input

A SMILES string, a structure file, a vendor catalog number, or a sketch. The corpus reads the formats chemists actually keep.

02

State the question

plan

Binding affinity, tautomers, route length. The answer is a chain of catalog entries, composed by the model that is driving, not a fixed form.

03

Run the engines

execute

Docking, dynamics, descriptors, QC, ADMET. Each module is AI-native and checked against the reference implementation it stands in for; each has a public record page.

04

Read the result

output

Predictions with confidence ranges, figures ready for review, and the record that documents how each value was produced. Status: in development

The catalog

Thirty-nine families, one catalog.

Release standard, applied to chemistry

Verified before it releases.

A docking score that drifts is worse than no docking score. Where a reference engine exists, our implementation is tested against what that engine actually produces, under documented conditions. The record ships with the tool or the tool does not ship.

entry recordin build
lineagedeclared, when one exists
verified againstthe original's output
edge casespart of the test set
manifestmachine-readable
availablein development
The same release gate as every other module.
Free
the whole corpus, no AI

Every chemistry entry, packaged for desktop systems and distributed through standard app stores.

in development
Subscription
the AI interfaces

The same entries, operated by Claude, Codex, or your own agents.

in development
Enterprise
inside your infrastructure

Your cheminformatics stack installed within your perimeter, on your hardware, under your policies.

in development

The chemistry catalog is public.

2,486 modules in build, each with a public record page. Release proceeds module by module as verification completes.