MolecularDiffusion.modules.models.diffsmol

DiffSMol: shape-conditioned hybrid 3D molecular diffusion.

Ported from https://github.com/NingQuanwei/DiffSMol (commit 2f72f80). Bond-free scope; shape conditioning and D3PM atom-type diffusion kept. See docs/model_integrations/diffsmol/INTEGRATION_PLAN.md.

shape_utils is deliberately NOT re-exported here – it pulls optional scikit-image/trimesh deps that training and generation must not require.

Submodules