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Merge pull request #61 from Fung-Lab/torchmd_fix_scatter
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Use torch_geometric.utils for scatter
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vxfung authored Jan 22, 2024
2 parents 6f218f9 + cc25a20 commit 26fc3af
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2 changes: 1 addition & 1 deletion matdeeplearn/models/torchmd_etEarly.py
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from torch import Tensor, nn
import torch_geometric.nn
from torch_geometric.nn import MessagePassing
from torch_scatter import scatter
from torch_geometric.utils import scatter
from matdeeplearn.models.utils import (
NeighborEmbedding,
CosineCutoff,
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