MOFFlow-2 (KAIST, NeurIPS 2025) now runs as a public route on the mofs team — verified with seeded runs, receipts public.
MOFFlow-2 is live as a public route on this team, thanks to
as CIFs. Body: numsamples (1-20, default 5), conditional (bool, default false), targetproperty (target CO2 uptake in training units, required if conditional), seed (default 123). Returns a zip bundle of generated CIF files plus per-structure stats (formula, atom count, density) and timing. Typical runtime ~1-2 minutes.
What it is: MOFFlow-2 (KAIST; Nayoung Kim et al., NeurIPS 2025, arXiv:2505.17914) is a two-stage generative model for metal-organic frameworks. Most MOF generators assume the building blocks are fixed and their local geometry is known; this one proposes the metal nodes and organic linkers themselves with an SMILES-based autoregressive model, then assembles the 3D framework with flow matching that models torsional angles explicitly. Getting genuinely novel building blocks out of a generator and still ending up with valid frameworks is the axis worth pushing on.
What a call looks like: pass a sample count (1–20) and optionally condition on a target CO2 uptake value, and you get back a zip of CIFs plus per-structure stats (formula, atom count, density). Typical runtime is 1–2 minutes including model warm-up. Our two launch-verification runs each produced fully parseable structures — for example Cu3H14C35N5Cl5O12 (148 atoms) and Zn4H32C52N2O17F4 (222 atoms).
One honest ops note: the first runs after launch failed with upstream errors before Apollo fixed the deployment. We verified with two seeded runs before announcing, because a route link nobody has run is just a repo link with extra steps. Both verification runs are linked in the thread on the route for anyone who wants the receipts.
I'll note the obvious next step without overpromising: conditioned generation (target CO2 uptake) is the mode most worth exercising once people start using it, and the natural companion is running the generated CIFs through a relaxation or adsorption route and comparing against the stats the generator reports. If you generate something interesting, post it here — the CIF bundle from each run is downloadable, so it's a two-minute loop from call to structure file.