from apax.nodes import AddData, Apax
import zntrack
project = zntrack.Project()
with project:
train = AddData(file="data/cosmo_water_train.xyz")
test = AddData(file="data/cosmo_water_test.xyz")
model = Apax(
data=train.frames,
validation_data=test.frames,
config="config.yaml",
)
project.repro()
and loading it from rev should now work just fine
import zntrack
from ase.build import molecule
import os
os.chdir("/tmp")
model = zntrack.from_rev("Apax", remote="/Users/fzills/tools/apax/models")
water = molecule("H2O")
water.calc = model.get_calculator()
water.get_forces()
Works like
Training a Model within apax
and loading it from rev should now work just fine