Table 2 Results on the materials generation task

MP-20

FTCP³⁹

1.55

48.37

-

-

-

P-G-SchNet³⁹

77.51

76.40

-

-

-

CDVAE

99.98

52.39

0.95

0.165

0.132

DiffCSP³⁶

99.94

83.22

16.11

0.099

0.025

VQCrystal

100.0

84.58

91.93

0.160

0.152

Perov-5

FTCP³⁹

0.24

54.24

-

-

-

Cond-DFC-VAE³⁸

73.60

82.95

-

-

-

P-G-SchNet³⁹

79.63

99.13

-

-

-

CDVAE

100.0

69.79

0.02

0.038

0.025

DiffCSP³⁶

100.0

98.69

12.26

0.051

0.002

VQCrystal

100.0

97.48

99.17

0.247

0.312

Carbon-24

FTCP³⁹

0.08

-

-

-

-

P-G-SchNet³⁹

48.39

-

-

-

-

CDVAE

100.0

-

0.00

0.125

0.103

DiffCSP³⁶

100.0

-

0.01

0.0187

0.033

VQCrystal

99.97

-

74.22

0.248

0.515