maltefranke
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morph

molecular-generation

atom-count-conditioning

molecular-property-conditioning

scaffold-decoration

structure-based-drug-design

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morph / chembl3d /explicit_h /runtime /uv.lock

maltefranke's picture

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

ab9bea9 verified 26 days ago

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