API of Just Another Computer Shop (JACS)
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Updated
Jun 10, 2023 - JavaScript
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jacs
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Machine learning (BGMM/GP) code for the Catassembly Triad framework in JACS. Validates catalyst efficacy prediction via triad descriptors (attachability, controllability, detachability).
machine-learning chemistry computational-chemistry bayesian-inference gaussian-mixture gaussian-process jacs catalyst-design supramolecular-chemistry enantioselectivity
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Updated
Dec 27, 2025 - Python
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