MolecularDiffusion.modules.models.flowmol_graph3d

FlowMol3 backbone: bond-carrying, CTMC discrete-flow-matching GVP field.

Sibling of the coordinate-only modules/models/flowmol package, which stays byte-identical. The two share build_edge_idxs, InterpolantScheduler and the whole of modules/layers/gvp; everything bond- or CTMC-specific lives here.

See docs/model_integrations/flowmol_graph3d/ for the integration plan and the provenance of the released weights this reproduces.

Submodules

• MolecularDiffusion.modules.models.flowmol_graph3d.ctmc_utils
• MolecularDiffusion.modules.models.flowmol_graph3d.ctmc_vector_field
• MolecularDiffusion.modules.models.flowmol_graph3d.graph_utils
• MolecularDiffusion.modules.models.flowmol_graph3d.priors
• MolecularDiffusion.modules.models.flowmol_graph3d.self_conditioning
• MolecularDiffusion.modules.models.flowmol_graph3d.vector_field