diff --git a/pyproject.toml b/pyproject.toml index e80ed1c1..07a75e75 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -64,7 +64,7 @@ alchemical-model = [ "torch_alchemical @ git+https://github.com/abmazitov/torch_alchemical.git@51ff519", ] pet = [ - "pet @ git+https://github.com/lab-cosmo/pet@292ab40", + "pet @ git+https://github.com/lab-cosmo/pet@8841021", ] gap = [ "rascaline-torch @ git+https://github.com/luthaf/rascaline@d181b28#subdirectory=python/rascaline-torch", diff --git a/src/metatrain/experimental/pet/default-hypers.yaml b/src/metatrain/experimental/pet/default-hypers.yaml index 422a5493..9b283c75 100644 --- a/src/metatrain/experimental/pet/default-hypers.yaml +++ b/src/metatrain/experimental/pet/default-hypers.yaml @@ -35,6 +35,8 @@ model: training: INITIAL_LR: 1e-4 + EPOCH_NUM: 1000 + EPOCHS_WARMUP: 50 EPOCH_NUM_ATOMIC: 1000000000000000000 # structural version is called "EPOCH_NUM" SCHEDULER_STEP_SIZE_ATOMIC: 500000000 # structural version is called "SCHEDULER_STEP_SIZE" EPOCHS_WARMUP_ATOMIC: 250000000 # structural version is called "EPOCHS_WARMUP" diff --git a/tox.ini b/tox.ini index d388b99e..77463661 100644 --- a/tox.ini +++ b/tox.ini @@ -116,7 +116,7 @@ extras = pet changedir = src/metatrain/experimental/pet/tests/ commands = python -m pip uninstall -y pet - python -m pip install "pet @ git+https://github.com/lab-cosmo/pet@292ab40" --no-build-isolation + python -m pip install "pet @ git+https://github.com/lab-cosmo/pet@8841021" --no-build-isolation pytest {posargs} [testenv:gap-tests]