Amiti

Amiti is our molecular embedding model for discovery teams. It supports small molecules, peptides, and antibodies in one workflow, and it includes drug-likeness signals early in screening.

Billions Molecules Screened
All Modalities
Built-In ADMET Awareness
1 Unified Model

What Is Amiti?

Amiti is the internal model behind AgentCures. It maps proteins, ligands, and assay context into a shared representation so we can compare candidates consistently across projects.

Instead of maintaining separate models for each task, we use one core model and adapt the same embedding space to ranking, filtering, and prioritization. That keeps decisions easier to interpret and reduces handoff friction.

Why Amiti Exists

  • Give one team a single model across multiple modalities
  • Support large-scale screening without exploding compute cost
  • Reduce late surprises by considering ADMET earlier
  • Keep a consistent ranking signal across the AgentCures pipeline

Billion-Scale Screening, Made Practical

Traditional virtual screening gives you a list of binders. That is useful, but it is not enough. Many binders fail later because of exposure, safety, or metabolism. Amiti is designed to rank for both binding and developability from the start.

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Screens Billions of Molecules

Amiti can run very large batches quickly, so teams can explore broad chemical space without enterprise-level budgets.

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ADMET-Aware From the Start

Amiti factors ADMET signals into screening so you can avoid spending time on compounds that look strong early but fail basic drug-likeness checks.

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Best Molecules, Not Just Hits

By scoring potency and developability together, Amiti helps teams prioritize candidates that are more realistic to move forward.

Amiti-3 vs GNINA

We focus on EF@1%, or enrichment factor in the top 1% of ranked candidates. A score of 1x means a model is acting like random selection. Higher is better, because discovery teams spend most of their time on the very top of the list. On the public comparisons shown here, Amiti-3 beats GNINA on both screening benchmarks and extends beyond docking into ADMET-aware ranking.

Head-to-head summary Amiti-3 wins 2/2 and adds ADMET coverage GNINA does not have
Virtual screening benchmark

DUD-E

DUD-E measures how effectively a model pulls true binders to the very top of a screen. Amiti-3 reaches 25.22x EF@1% versus 20.40x for GNINA, so the first 1% of Amiti-ranked molecules is materially richer in actives.

+23.6% EF@1% vs GNINA
Amiti-3 25.22x
GNINA 20.40x
Hard sparse-hit benchmark

LIT-PCBA

LIT-PCBA is a tougher and noisier benchmark, closer to the kind of sparse-hit environment that makes early prioritization difficult. Amiti-3 still comes out ahead at 1.94x EF@1% versus 1.88x for GNINA.

+3.2% EF@1% vs GNINA
Amiti-3 1.94x
GNINA 1.88x
Developability benchmark

ADMET

ADMET asks whether a model can bring more developable molecules into the first decision-making slice. Amiti-3 reaches 1.81x EF@1%. GNINA has no ADMET comparison here because docking engines do not model ADMET ranking in the same way.

Only Amiti-3 covers this
Amiti-3 1.81x
GNINA N/A
No ADMET model

One Model, Every Modality

Many drug discovery models are built for only one modality. Amiti uses one shared representation so teams can work across small molecules, peptides, and antibodies without switching tools.

This means Amiti can screen small molecules against a protein target one moment, then evaluate peptide binders or score antibody candidates the next, all within the same framework.

In practice, this reduces context switching for scientists and makes it easier to compare candidates fairly across modalities.

Supported Modalities

  • Small molecules: large-scale virtual screening
  • Peptides: cyclic, linear, and stapled binders
  • Antibodies: full-length and fragment scoring
  • Protein-protein interactions: affinity-oriented ranking

What Sets Amiti Apart

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General-Purpose Embeddings

Amiti is not limited to one benchmark task. It provides a consistent representation across targets and modalities.

Efficient at Scale

The encoder architecture supports very large screens while keeping runtime and cost manageable for applied teams.

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Unified Screening

Small molecules, peptides, and antibodies are handled in one model. No more stitching together separate tools for different modalities.

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ADMET Included Early

Drug-likeness is considered during screening so teams can focus on candidates that are more likely to progress.

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Built for AgentCures

Amiti powers target ranking, virtual screening, and lead prioritization in the AgentCures workflow.

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Built for Real Programs

The focus is not on demos. The model is tuned for day-to-day discovery work where ranking quality and throughput both matter.

Use Amiti in Your Workflow

Amiti is the model behind the AgentCures platform. If you want to evaluate it for your discovery workflow, get in touch.