From Quantum Chemistry to Drug Discovery

Built on a foundation of quantum chemistry and enhanced by AI, delivering end-to-end solutions for drug discovery and beyond.

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Built for the questions that move programs forward

Make more compound decisions

When scoring runs in hours, you can evaluate compounds throughout a program rather than only at the finish line. Teams explore more candidates and let the results guide what advances, so more of your design decisions are grounded in evidence.

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Answer your toughest binding questions

Protein-ligand selectivity, covalent inhibitors, protein-protein interfaces, ligand design against flexible or charged sites, PROTAC ternary complexes, and macrocyclic systems are all fully supported. Promethium models these interactions directly, so the binding questions that matter most to your program get reliable, physics-grounded answers.

Connect your workflows into persistent discovery programs

Composable Workflows let you chain Promethium's 25+ capabilities into multi-step pipelines via API and SDK. The high-quality quantum chemistry data generated by these workflows also powers Promethium's own ML models, driving the platform's speed and accuracy. Molecule Library, Lead Optimization Funnel, QC Bind, and Covalent Inhibitors will soon turn these pipelines into persistent molecular programs where every result, candidate, and decision carries forward.

Flagship algorithms for computational chemistry

GPU-accelerated DFT, RBFE, QC Score, and F-SAPT methods for physics-based lead optimization
High-quality Gaussian basis sets and automated workflow configuration
Industry standard treatment of environmental, solvation, and dispersion effects

Optimized for powerful GPU hardware

Written from the ground up for NVIDIA datacenter GPUs like A100
Purpose-built streaming algorithms optimized for GPU throughput
Efficient use of GPU compute resources

Coupled with the scalability of the cloud

Batch processing enables seamless analysis over whole databases of molecular systems
End-to-end workflows are automatically dynamically parallelized
Complete computational studies delivered in minutes, not hours

“Promethium is very intuitive to use and much faster than any other quantum chemistry tools we have. Our internal benchmarks suggest Promethium is more than 100x faster than our current tools. We like Promethium not only for its performance, but also for the fact that it's hosted on AWS, allowing us to consolidate all our digital tools onto one single platform”

"Director of Computational Chemistry at Top 15 Global Pharmaceutical Company"”

“We like Promethium because it is much faster than alternatives and we can access the best GPUs from NVIDIA on AWS.”

Computational Chemist, Commercial Promethium User