[KongchangAI]
Benchmark

T800

A newly constructed benchmark dataset for crystal structure prediction containing 800 target structures, used to evaluate the generalization performance of CSP methods.

Timeline (last 90 days)

Oct 27

Ablation experiments show that most of TCSP3.0's performance improvement on T180 and T800 comes from the correctness fixes (coefficient-preserving mapping and synchronous replacement).

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Oct 27

On the newly constructed 800-target benchmark T800, TCSP3.0 achieves a Top-20 match rate of 74.0%.

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