Skip to content

Conversation

@PythonFZ
Copy link
Collaborator

@PythonFZ PythonFZ commented Dec 4, 2025

This is a requirement for #87 supporting

uv run aserpc broker
uv run --extra mace aserpc worker mace-mpa-0
uv run --extra sevenn aserpc worker 7net-0
...

with e.g.

import aserpc
from ase.collections import g2

a = aserpc.RemoteCalculator("mace-mpa-0")
b = aserpc.RemoteCalculator("7net-0")

for atoms in g2:
    atoms.calc = a
    a_energy = atoms.get_potential_energy()
    atoms.calc = b
    b_energy = atoms.get_potential_energy()
    print(f"MACE: {a_energy:.3f} eV, 7Net: {b_energy:.3f} eV")

which now run in dedicated environments.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment

Labels

None yet

Projects

None yet

Development

Successfully merging this pull request may close these issues.

2 participants