Crystal Generation
Generate inorganic crystal candidates with MatterGen or symmetry constraints.
Overview
Generate inorganic crystal candidates with MatterGen or symmetry constraints. Official MIT MatterGen chemical-system and band-gap checkpoints, plus MIT PyXtal symmetry generation. Sampling budgets and model choices are fixed internally. Generated candidates are geometry checked, not relaxed or established stable. Property conditioning does not prove target attainment or synthesizability. Chemical-system conditioning is not exact-composition prediction. Relax, deduplicate, and independently evaluate generated structures before selection.
Run Crystal Generation on Neurosnap
The Crystal Generation online webserver allows anybody with a Neurosnap account to run and access Crystal Generation, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Generate inorganic crystal candidates with MatterGen or symmetry constraints.
- Scientific results with explicit units and interpretation limits.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access Crystal Generation using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using Crystal Generation in publications or research outputs.
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https://doi.org/10.1038/s41586-025-08628-5 |
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https://github.com/MaterSim/PyXtal |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |