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SimonCrouzet / g-plip

Repository for G-PLIP (paper "Knowledge graph neural network for structure-free protein-ligand affinity prediction")
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🎨 ✨ restructured according to flake8/black, added params #3

Closed SimonCrouzet closed 7 months ago

SimonCrouzet commented 7 months ago

Integrate @alexarnimueller 's commit into main branch