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Unconditional Molecular Generation on MOSES

100Validity

Training set

Updated 4d ago

Evaluation Results

Method	Links
Training set 2026.02		100	95.4	-	-	100	-	100	0.48	0.59	-
Training set 2026.02		100	95.4	-	-	100	-	100	0.48	0.59	-
SAFE-GPT 2026.02		99.8	92.8	0.12	0.015	98.9	43.7	97.7	0.72	0.57	6.3
SAFE-GPT 2026.02		99.8	92.8	0.12	0.015	98.9	43.7	97.7	0.72	0.57	6.3
GenMol 2026.02		99.7	62.1	0.05	0.012	64	68.9	98.1	16.36	0.64	1.6
GenMol 2026.02		99.7	62.1	0.05	0.012	64	68.9	98.1	16.4	0.64	1.6
MolHIT 2026.02		99.1	94.2	0.39	0.033	99.8	91.4	98	1.03	0.55	14.4
MolHIT 2026.02		99.1	94.2	0.39	0.033	99.8	91.4	98	1.03	0.55	14.4
VAE 2026.02		97.7	92.8	0.22	0.031	99.7	69.5	99.7	0.57	0.58	5.9
VAE 2026.02		97.7	92.8	0.22	0.031	99.7	69.5	99.7	0.57	0.58	5.9
CharRNN 2026.02		97.5	92.6	0.29	0.035	99.9	84.2	99.4	0.52	0.56	11
CharRNN 2026.02		97.5	92.6	0.29	0.035	99.9	84.2	99.4	0.52	0.56	11
DeFoG 2026.02		92.8	88.5	0.26	0.031	99.9	92.1	98.9	1.95	0.55	14.4
DeFoG 2026.02		92.8	88.5	0.26	0.031	99.9	92.1	98.9	1.95	0.55	14.4
DisCo 2026.02		88.3	-	-	-	100	97.7	95.6	1.44	0.5	15.1
DisCo 2026.02		88.3	-	-	-	100	97.7	95.6	1.44	0.5	15.1
Cometh 2026.02		87.2	82.1	0.36	0.023	100	96.4	97.3	1.44	0.51	16.8
Cometh 2026.02		87.2	82.1	0.36	0.023	100	96.4	97.3	1.44	0.51	16.8
DiGress 2026.02		87.1	82.5	0.26	0.031	100	94.2	97.5	1.25	0.53	12.8
DiGress 2026.02		87.1	82.5	0.26	0.031	100	94.2	97.5	1.25	0.53	12.8