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Hi
I recently read the interesting paper "Descriptors-free Collective Variables From Geometric Graph Neural Networks", and wanna try this gnn cv by myself. ( The following git is referred from the paper , https://github.com/jintuzhang/gnncv/tree/master )
Is it possible to calculate this gnn-cv in plumed with gpu ?
Thanks in advance.
The text was updated successfully, but these errors were encountered:
Hi
I recently read the interesting paper "Descriptors-free Collective Variables From Geometric Graph Neural Networks", and wanna try this gnn cv by myself. ( The following git is referred from the paper , https://github.com/jintuzhang/gnncv/tree/master )
Is it possible to calculate this gnn-cv in plumed with gpu ?
Thanks in advance.
The text was updated successfully, but these errors were encountered: