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guanjq / targetdiff

The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
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Jensen-Shannon divergence #15

Open pearl-rabbit opened 1 year ago

pearl-rabbit commented 1 year ago

Hello, I have a question about Jensen-Shannon divergence.When calculating JSD, do we calculate the distance between all atoms or only those with bonds.