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thegomeslab/Benchmarking-DE-TS-MLIPs
By thegomeslab
Input geometries and scripts for the paper Reliable and Efficient Automated Transition-State Searches with Machine-Learned Interatomic Potentials
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Python
Updated 03 May 2026
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Input geometries and scripts for the paper Reliable and Efficient Automated Transition-State Searches with Machine-Learned Interatomic Potentials
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