Live per-element supply-chain and hazard indices for magnet-candidate screening: HHI (Gaultois 2013 — the exact basis of hhiscore in magnetdatasetclean), cost (daily spot for exchange-traded metals via metals.dev + 2013 reference), toxicity (PubChem GHS classifications with a documented severity rubric), and cradle-to-gate environmental impact (Nuss & Eckelman 2014: GWP, cumulative energy demand). POST /score computes weight-fraction-weighted compound scores from a formula or CIF. Cost refreshes daily 06:00 UTC; toxicity monthly; every response carries asof + source provenance.

Generate novel crystal structures with multimodal property conditioning using a reciprocal-space DiT. Returns CIF data.

Generate novel crystal structures using GPSK-300, a multimodal DiT that operates on 3-channel 32³ reciprocal-space grids (Re(F(hkl)), Im(F(hkl)), 1/d²). Fully invertible representation: lattice parameters and atomic positions are encoded directly in the generated grid. Conditions on composition, crystal system, space group, band gap, formation energy, e-above-hull, and magnetic ordering.

Generate novel crystal structures for a given chemical composition using a diffusion transformer with periodic representation, AdaLN conditioning, density-based element classification, and learned lattice prediction. Returns CIF file data with structural metrics.

Diffusion transformer with periodic fractional coordinate representation and AdaLN composition conditioning. Operates on 128-cubed voxel density fields with learned lattice prediction.

Generate novel crystal structures for a given chemical composition using a 1.2B parameter diffusion transformer. Returns CIF file data with structural metrics.

Diffusion transformer operating on 128 cubed voxel density fields.

Live per-element supply-chain and hazard indices for magnet-candidate screening: HHI (Gaultois 2013 — the exact basis of hhiscore in magnetdatasetclean), cost (daily spot for exchange-traded metals via metals.dev + 2013 reference), toxicity (PubChem GHS classifications with a documented severity rubric), and cradle-to-gate environmental impact (Nuss & Eckelman 2014: GWP, cumulative energy demand). POST /score computes weight-fraction-weighted compound scores from a formula or CIF. Cost refreshes daily 06:00 UTC; toxicity monthly; every response carries asof + source provenance.

Generate novel crystal structures with multimodal property conditioning using a reciprocal-space DiT. Returns CIF data.

Generate novel crystal structures using GPSK-300, a multimodal DiT that operates on 3-channel 32³ reciprocal-space grids (Re(F(hkl)), Im(F(hkl)), 1/d²). Fully invertible representation: lattice parameters and atomic positions are encoded directly in the generated grid. Conditions on composition, crystal system, space group, band gap, formation energy, e-above-hull, and magnetic ordering.

Generate novel crystal structures for a given chemical composition using a diffusion transformer with periodic representation, AdaLN conditioning, density-based element classification, and learned lattice prediction. Returns CIF file data with structural metrics.

Diffusion transformer with periodic fractional coordinate representation and AdaLN composition conditioning. Operates on 128-cubed voxel density fields with learned lattice prediction.

Generate novel crystal structures for a given chemical composition using a 1.2B parameter diffusion transformer. Returns CIF file data with structural metrics.

Diffusion transformer operating on 128 cubed voxel density fields.