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bench: hyper-crest vs standard CREST DFT-rescored conformer benchmark#2

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bowen-zhang01 wants to merge 8 commits into
feat/hyperxtb-nnxtbfrom
feat/nnxtb-benchmark
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bench: hyper-crest vs standard CREST DFT-rescored conformer benchmark#2
bowen-zhang01 wants to merge 8 commits into
feat/hyperxtb-nnxtbfrom
feat/nnxtb-benchmark

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