Physics-based lead optimization that compounds with every discovery cycle
Promethium gives computational chemistry teams 25+ capabilities for drug discovery, from geometry optimization and conformer search to QC Score, InteractionMap, and Composable Workflows. Lead Optimization Funnel, Molecule Library, QC Bind, and Covalent Inhibitors will soon connect these workflows into persistent molecular programs where every run carries forward into the next.
The Platform
25+ capabilities live today, with persistent molecular programs coming soon
Because these workflows are fast enough to run early and often, you can test more ideas, follow more leads, and decide which compounds to advance or drop on real physics rather than approximations.
ab initio Guided Drug Discovery - Quantum Chemistry Techniques at Scale
Key Capabilities
Validated workflows for every stage of computational drug discovery
Examine differences in ligand binding
Explore the physical origin of differences between two drug candidates interacting with the same target.
InteractionMap
Understand how molecules interact
Use quantum mechanics to unravel the underlying physics of protein/ligand interactions.
QC Score
Interaction Energies
Quantify the energy between interacting molecules (e.g. a small molecule inhibitor in a binding pocket) using only their coordinates as input.
Interaction Energy
Identify lowest energy conformers
Locate all low-energy conformers corresponding to a single input structure.
Multiphysics Conformer Search
Reaction coordinates of warheads
Understand the path that the atoms and molecules of the warhead follow as they undergo a chemical reaction, and how it can be optimized for maximum protein inactivation.
Reaction Pathways Tool