maltefranke
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morph

molecular-generation

scaffold-decoration

structure-based-drug-design

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morph / chembl3d /explicit_h /runtime /src

Commit History

Oct 7 13 days ago

10:15
Add ChEMBL3D explicit-H epochs 200/300/400 and implicit-H epochs 100/200/300 with inference bundles

maltefranke

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