LBANN Implementation of DPMNN on CSD-10K Data#2361
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szaman19 wants to merge 8 commits intoLBANN:v1.x-developfrom
Open
LBANN Implementation of DPMNN on CSD-10K Data#2361szaman19 wants to merge 8 commits intoLBANN:v1.x-developfrom
szaman19 wants to merge 8 commits intoLBANN:v1.x-developfrom
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- Add graph data splitting
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Model implementation following chemprop
Associated paper: Analyzing Learned Molecular Representations for Property Prediction