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CPU-only SMACT 4.0.0 wrapper for enumerating charge-neutral, electronegativity-compatible candidate compositions. Rule-based plausibility screen; not a stability or structure predictor.
CPU-only SMACT 4.0.0 wrapper for enumerating charge-neutral, electronegativity-compatible candidate compositions. Rule-based plausibility screen; not a stability or structure predictor.
Davies et al. · Journal of Open Source Software · 2022
Usage
13 callsDavies et al. · Journal of Open Source Software · 2022
Usage
13 calls