Custom AI Modeling for Life Sciences & Process Industries

Establish your modeling factory with best practices, validated protocols, and integrated proprietary and public data

Our Engagement Model

How We Work with You

A structured, scientist-led process – from scoping to deployed model – designed around your biology and your data.

Scientific Depth

Domain scientists codesign every model architecture
Biological hypothesis drives feature selection
Mechanistic interpretability built in – not bolted on
Models are explainable to medicinal chemists & biologists

Your Data Stays Yours

All proprietary assay data remains under your control
Secure enclaves available for sensitive programs
Full IP assignment – the fine-tuned model is yours
No cross-client data leakage – isolated training pipelines

Speed to First Prediction

Pilot model in as little as 4–6 weeks
Iterative cadence – weekly model updates during sprints
Prospective wet-lab testing closes the loop fast
Active learning reduces experimental burden by 60–80%

Collaborative Research

Embedded Aganitha scientists work alongside your team – shared goals, shared results

Model-as-a-Service

Hosted API – your researchers query the model directly from their existing tools and workflows

Technology Transfer

Full model handoff with training code, weights, and documentation – run it inhouse forever

Validated Impact

Wet-lab Confirmations Across R&D Areas

Select success stories

Fab screening for self-assembly into a nanocage bound multi-valent, multi-specific construct targeting HIV

“We were struggling to generate hits from immunization program; Aganitha AI models helped us succeed by screening for developable candidates with their AI/ML models”

16x hit rate in transition metal catalyst & reagent selection for cross-coupling reactions

“…I did not expect this ligand to deliver ~80% yield…If not for the prediction from this model, I would have never tried it!”

20x yield with RL directed enzyme optimization

“90% true positive rate for high-yield predictions”

Data Enablement

From Raw Data to AI Consumption Ready Data

Scientific rigor at every step of your data pipeline.

Acquisition & Extraction

ELN, LIMS, literature, proprietary databases

Cleaning & QC

Noise removal, outlier detection, audit trails

Feature Engineering

Descriptors, fingerprints, omics & assay features

AI-Ready Formatting

Standardised schemas (ChEMBL, UniProt, GO)

Metadata Management

Versioned provenance & data lineage

Raw Data Transformation

Heterogeneous → curated, analysis-ready datasets

Modeling Capabilities

What We Model & Where It Fits

End-to-end coverage across the drug discovery pipeline – small molecules and biologics – from target identification to IND.

Discover our offerings across the biopharma value chain

Our Solutions

Customizable platforms and solutions across the drug discovery value chain from target discovery to therapeutic development

Our Services

Offering services in computational sciences and technology to complement biopharma R&D

Case Studies

Helping clients accelerate drug discovery and development by building computational biology, computational chemistry, technology, and cloud solutions