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Type checking for scheduler is added #284

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merged 17 commits into from
Jul 8, 2024
Merged

Type checking for scheduler is added #284

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fc94e79
improve TensorNet model coverage
kenko911 Jun 22, 2024
53357d7
Update pyproject.toml
kenko911 Jun 22, 2024
f65cdba
Improve the unit test for SO(3) equivarance in TensorNet class
kenko911 Jun 22, 2024
93574e0
Merge branch 'main' of https://github.com/kenko911/matgl
kenko911 Jun 22, 2024
16abc38
improve SO3Net model class coverage and simplify TensorNet implementa…
kenko911 Jun 23, 2024
6aaad51
Merge branch 'materialsvirtuallab:main' into main
kenko911 Jun 23, 2024
2798176
improve the coverage in MLP_norm class
kenko911 Jun 24, 2024
e24bbdd
Merge branch 'main' of https://github.com/kenko911/matgl
kenko911 Jun 24, 2024
2101bb0
Merge branch 'materialsvirtuallab:main' into main
kenko911 Jun 24, 2024
147d4f5
Better documentation for M3GNet potential training with stresses
kenko911 Jun 25, 2024
e144ae2
Merge branch 'materialsvirtuallab:main' into main
kenko911 Jun 28, 2024
9b17963
Improve the implementation of three-body interactions
kenko911 Jul 3, 2024
dc6ed59
fixed black
kenko911 Jul 3, 2024
59ab134
Merge branch 'materialsvirtuallab:main' into main
kenko911 Jul 5, 2024
522809c
Optimize the speed of _compute_3body class
kenko911 Jul 5, 2024
e290538
Merge branch 'materialsvirtuallab:main' into main
kenko911 Jul 8, 2024
27c728f
type checking is added for scheduler
kenko911 Jul 8, 2024
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6 changes: 3 additions & 3 deletions src/matgl/utils/training.py
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Original file line number Diff line number Diff line change
Expand Up @@ -16,7 +16,7 @@
if TYPE_CHECKING:
import dgl
import numpy as np
from torch.optim import Optimizer
from torch.optim import LRScheduler, Optimizer


class MatglLightningModuleMixin:
Expand Down Expand Up @@ -147,7 +147,7 @@ def __init__(
data_std: float = 1.0,
loss: str = "mse_loss",
optimizer: Optimizer | None = None,
scheduler=None,
scheduler: LRScheduler | None = None,
lr: float = 0.001,
decay_steps: int = 1000,
decay_alpha: float = 0.01,
Expand Down Expand Up @@ -270,7 +270,7 @@ def __init__(
loss: str = "mse_loss",
loss_params: dict | None = None,
optimizer: Optimizer | None = None,
scheduler=None,
scheduler: LRScheduler | None = None,
lr: float = 0.001,
decay_steps: int = 1000,
decay_alpha: float = 0.01,
Expand Down
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