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Molecular Crystal Structure Prediction research benchmarks · SOTA2 Research

Molecular Crystal Structure Prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

2.13Lattice Energy (kJ/mol)

4

Mar 5, 2026

Flexible Dataset (test)

0.9ColS

3

Feb 26, 2026

Rigid Dataset (test)

0.731ColS

3

Feb 26, 2026

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