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Dear deepmd-kit developers,
DP performs well in inorganic, metal and small molecule fields, but not as well as GNN model for larger organic molecular systems, especially polymers with abundant conformation. It is also important to study polymers or large organic molecules.
So, I have a wish/thought:
Can GNN or MPNN be combined effectively on the basis of DP model?
This is just my idea and we can discuss it. I'd like to hear your opinion on this matter.
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Dear deepmd-kit developers,
DP performs well in inorganic, metal and small molecule fields, but not as well as GNN model for larger organic molecular systems, especially polymers with abundant conformation. It is also important to study polymers or large organic molecules.
So, I have a wish/thought:
Can GNN or MPNN be combined effectively on the basis of DP model?
This is just my idea and we can discuss it. I'd like to hear your opinion on this matter.
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