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Platforms

Commercial and academic platforms for chemistry AI and scientific research

6 resources

NOMAD

Platforms

Academic platform for managing and exploring materials research data, with notebook-based analysis through the NOMAD AI Toolkit.

Open source

Materials Discovery · Scientific Data

Academic materials data platform for exploring computed structures and properties and preparing materials-discovery research.

Materials Discovery · Scientific Data

AIDDISON Explorer is a hosted drug-discovery platform that generates and ranks molecular candidates against target profiles, design constraints, predicted properties and synthetic feasibility.

Molecular Generation · Drug Discovery

Rowan

Platforms

Rowan is a cloud platform for molecular calculations, combining quantum chemistry, machine-learned potentials, property prediction, and protein–ligand workflows through a web interface and Python API.

Computational Chemistry · Quantum Chemistry

Chemistry42

Platforms

Chemistry42 is a small-molecule discovery platform combining generative design, retrosynthesis, ADMET and selectivity prediction, and physics-based prioritization for hit identification and lead optimization.

Molecular Generation · Drug Discovery

Makya

Platforms

Makya is Iktos’s generative AI SaaS platform for de novo molecular design, combining project objectives, synthesis constraints, and ligand- or structure-based modeling to guide compound selection.

Molecular Generation · Drug Discovery