Table 1.

Single property molecule generation, tested with the GuacaMol dataset.

	Model	Valid ↑	Unique ↑	Novelty ↑	SD ↓	MAD ↓
logP	MolGPT	0.971	0.998	1	0.31	0.23
	ours	0.969	0.998	1	0.29	0.22
TPSA	MolGPT	0.972	0.996	1	4.66	3.52
	ours	0.971	0.997	1	4.21	3.31
QED	MolGPT	0.977	0.995	1	0.20	0.13
	ours	0.968	0.999	1	0.07	0.05
SAS	MolGPT	0.975	0.998	1	0.20	0.13
	ours	0.977	0.996	1	0.19	0.14