Best-in-class drug discovery execution
Axon brings together best-in-class physics-based and ML-driven methods into a single, coherent system — without forcing you to redesign your workflows.
CAPABILITIES
How Axon helps
01
Large-scale virtual screening
End-to-end structure preparation, rigid and flexible docking, GPU-accelerated workflows, and post-dock rescoring at production scale.
Try virtual screening with Axon02
Physics-based rigor
Free-energy perturbation (FEP), explicit-solvent molecular dynamics, QM and QM/MM analyses — guided through natural language objectives.
Try FEP and MD with Axon03
ML-native chemistry
Custom property and ADMET models trained directly on your chemical space, tightly integrated with structure- and physics-based methods.
Try custom ADMET models with AxonEVIDENCE
Axon vs. frontier models
Structure acquisition & preparation
| Capability (grouped) | Axon | Claude Code |
|---|---|---|
| Fetch target structures | ✓ | ✓ |
| Predict folded structure from sequence | ✓ | ✗ |
| Fix and standardize structures | ✓ | ✗ |
| All‑atom model preparation | ✓ | ✗ |
| Coarse‑grained model preparation | ✓ | ✗ |
| Protonation at target pH | ✓ | ✗ |
| Solvation and ion placement | ✓ | ✗ |
Docking & virtual screening
| Capability (grouped) | Axon | Claude Code |
|---|---|---|
| Receptor docking | ✓ | ✗ |
| Reference‑guided docking | ✓ | ✗ |
| Library screening | ✓ | ✗ |
| Results summarization & reporting | ✓ | ✓ |
| Export matching ligands | ✓ | ✗ |
| Pharmacophore model generation | ✓ | ✓ |
Molecular dynamics & energetics
| Capability (grouped) | Axon | Claude Code |
|---|---|---|
| Analyze MD stability & strain | ✓ | ✓ |
| Analyze short test simulations | ✓ | ✗ |
| Compute aqueous reference energies | ✓ | ✓ |
| Compute bound‑state strain energies | ✓ | ✓ |
Conformers & shape exploration
| Capability (grouped) | Axon | Claude Code |
|---|---|---|
| Rapid conformer generation | ✓ | ✗ |
| Advanced MMMC conformer search | ✓ | ✗ |
Homology & sequence intelligence
| Capability (grouped) | Axon | Claude Code |
|---|---|---|
| Homology search | ✓ | ✗ |
| Collect homolog metadata | ✓ | ✓ |
| Save representative alignments | ✓ | ✓ |
Structure acquisition & preparation
Fetch target structures
Axon✓
Claude✓
Predict folded structure from sequence
Axon✓
Claude✗
Fix and standardize structures
Axon✓
Claude✗
All‑atom model preparation
Axon✓
Claude✗
Coarse‑grained model preparation
Axon✓
Claude✗
Protonation at target pH
Axon✓
Claude✗
Solvation and ion placement
Axon✓
Claude✗
Docking & virtual screening
Receptor docking
Axon✓
Claude✗
Reference‑guided docking
Axon✓
Claude✗
Library screening
Axon✓
Claude✗
Results summarization & reporting
Axon✓
Claude✓
Export matching ligands
Axon✓
Claude✗
Pharmacophore model generation
Axon✓
Claude✓
Molecular dynamics & energetics
Analyze MD stability & strain
Axon✓
Claude✓
Analyze short test simulations
Axon✓
Claude✗
Compute aqueous reference energies
Axon✓
Claude✓
Compute bound‑state strain energies
Axon✓
Claude✓
Conformers & shape exploration
Rapid conformer generation
Axon✓
Claude✗
Advanced MMMC conformer search
Axon✓
Claude✗
Homology & sequence intelligence
Homology search
Axon✓
Claude✗
Collect homolog metadata
Axon✓
Claude✓
Save representative alignments
Axon✓
Claude✓