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CoCoGraph — Vecura
CoCoGraph
CoCoGraph is a collaborative constrained discrete graph diffusion model for de novo small-molecule generation that enforces atomic valence constraints throughout the diffusion trajectory via double edge-swapping (DES), and uses a paired time-prediction model to guide denoising.
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
molecules
Configure input settings on the left, then click "Run"
