Athanor — a closed-loop LLM agent for materials discovery: hypothesize, propose, screen with physics-grounded surrogates (CHGNet, MEGNet, convex hull), reflect,
Athanor — a closed-loop LLM agent for materials discovery: hypothesize, propose, screen with physics-grounded surrogates (CHGNet, MEGNet, convex hull), reflect, iterate. Benchmarked against non-LLM baselines under the same relaxation cap.
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