About 3D Information for PCQM4M-LSC #373
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Hi! This is a great question. You can as long as you follow the rule. |
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hi @weihua916 , that means we could use rdkit to get the 3D position if time allows? But I have found the information "test-time inference needs to be performed without explicit 3D information". |
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Yes, you can use rdkit or whatever package, as long as it is within the budget. |
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This means your test input is 2D molecular graph (SMILES string) and no 3D information is given, but your model can use 3D information if you can generate it yourself. |
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Hello OGB team, I saw your 3D information about all the molecules in the training set provided by the competition. For test-challenge dataset, can we get 3D information and use it ourselves?
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