binary-compounds

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fb15649 / alphalaw

Bond Order Scaling Law: 100% accurate molecular vs crystalline prediction for binary compounds. Cascade classifier L4→L5→L6 covering 76K JARVIS-DFT materials. No DFT required.

chemistry crystal-structure materials-science periodic-table cascade-classifier interpretable-ml dimensionality molecular-prediction scaling-law oxidation-state binary-compounds jarvis-dft bond-order staircase-method

Updated Apr 30, 2026
Python

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