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OXtal

Benchmarks

Task NameDataset NameSOTA ResultTrend
Crystal Structure PredictionOXtal Flexible
Sol@k76
18
Crystal Structure PredictionOXtal Teach
Sol@k76.3
16
Crystal Structure PredictionOXtal CSP7 (8)
Sol@k87.5
10
Crystal Structure PredictionOXtal CSP5 (6)
Sol@k100
10
Crystal Structure PredictionOXtal Rigid (50)
Sol@k96
9
Crystal Structure PredictionOXtal Rigid
Sol@k96
9
Solved-crystal coverageOXtal Flexible 15-molecule match requirement (50)
Sol@k46
8
Solved-crystal coverageOXtal Rigid 15-molecule match requirement (50)
Sol@k Coverage84
8
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