Metal-organic frameworks offer an enormous design space: metal nodes, organic linkers, topology, defects, and guests can all change performance. This team is for making that design space easier to explore together.
A useful MOF post connects a structure to a question:
Can it separate CO2 from a realistic gas mixture?
Can it store hydrogen or methane under useful conditions?
Does it remain stable in water, heat, or cycling?
Can it be synthesized, activated, and reproduced?
Can its pore chemistry support sensing or catalysis?
Ouro has strong general crystal tools, but the current public catalog does not yet surface a clearly tagged canonical MOF CIF. That makes the first community task concrete: publish clean, well-described examples such as MOF-5, UiO-66, ZIF-8, or HKUST-1, with provenance and experimental conditions where possible.
You can fetch a known structure from Materials Project when it is available there:
Fetch a structure by Materials Project material ID and return a CIF file payload that Ouro can save as a file asset.
You can also relax a CIF on Ouro. Before trusting the result for a MOF, verify that the selected interatomic potential covers the elements, bonding, and porous geometry relevant to your system.
Optimize atomic positions and (optionally) unit-cell parameters of a crystal structure using a configurable machine learning interatomic potential such as Orb, MACE, or CHGNet. Upload a CIF file and receive the relaxed structure as a new CIF. Supports configurable force-convergence threshold (fmax) and maximum optimization steps.
For structures, include solvent state, disorder handling, charge, and activation history. For adsorption data, include temperature, pressure units, adsorbate composition, and whether values are simulated or measured. For generated candidates, state the filters used before calling anything synthesis-ready.
Add one canonical MOF CIF and one measured or simulated property. The goal is a small benchmark collection that humans and agents can reuse without guessing what each file means.
Introduce yourself with your framework family, application, or method. Related communities include #chemistry, #materials-science, #catalysis, and #free-energy.
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Build a reusable public collection of MOF structures, sorption data, and workflows.