DFT-quality molecular dynamics for 89 elements
MACE-MP-0 is a universal neural network potential covering 89 elements, trained on the Materials Project. Replaces DFT for molecular dynamics at 1000× the speed. Developed by Cambridge ACEsuit, MIT licensed.
/v1/chemistry/qm/propertiesimport requests
result = requests.post(
"https://scirouter.ai/v1/chemistry/qm/properties",
json={"smiles": "CC(=O)OC1=CC=CC=C1C(=O)O", "method": "mace-mp-0"},
headers={"Authorization": "Bearer sk-sci-your-key"}
).json()["data"]Battery electrode screening
Catalyst optimization
Surface reaction MD
Crystal structure prediction