The world’s urgent problems require accelerated molecular discovery

Accelerated Discovery builds on IBM’s research into the fundamental elements of life and the planet -- matter and molecules -- to uncover new materials that can positively impact humanity.

We are developing advanced technologies incorporating AI, hybrid cloud and quantum into scientific research.

Chemical SynthesisRXN for Chemistry

Reduce the time and effort required to develop synthesis routes by applying language models to chemical reactions. This is AI for chemistry, made easy — leading to more discoveries and faster time to market.

Knowledge extractionDeep Search

Make scientific information searchable and uncover new relationships by using AI for language and image understanding. Get answers about molecule properties faster, for wider explorations and an accelerated narrowing of leads.

Developing new models for molecular discovery

We're continually inventing new applications of advanced AI in all phases of molecular discovery and making early versions available to scientists.

GT4SD: An open source toolkit for generative molecular design.

ST4SD: An open source toolkit for AI-enhanced molecular simulation.

Discover more, faster.

As part of IBM Research, we believe advances in computing can accelerate solutions to the world’s most urgent problems. We’re building interoperable software that applies advanced AI techniques like generative models, attention-based architectures, and self-supervised learning to molecular discovery.

Bring AI into your existing workflow.

See how Accelerated Discovery tools work for you, regardless of AI expertise.

Broaden your discovery space.

Discover more, faster, with Accelerated Discovery for enterprise.