Target property optimization on PMO benchmark benchmark leaderboard · SOTA2 Research

Target property optimization on PMO benchmark

99.4Albuterol SimilarityGraph-GRPO

Evaluation Results

Method	Links
Graph-GRPO2026.03		99.4	82.3	89	94.2	99.5	98.4	94.8	99.5	93.2	91	38.8	32.2	98	92.4	69	94.4	92.8	71.1	87.9	84.2	71.1	84.1	69.7	19.27
Graph-GRPO2026.03		99.4	82.3	89	76.2	99.5	98.4	96.5	99.5	93.2	91	38.8	30	97.4	92.2	68.9	94.4	92.8	62.2	87.9	84.2	71.1	84.1	69.7	18.987
f-RAG2026.03		97.7	74.9	77.8	93.6	99.2	85.6	96.9	95.5	85	90.4	34	32.3	67.1	86.6	68.1	93.9	82	57.6	60.1	58.4	44.8	62.7	48.6	16.928
InVirtuoGen2026.03		97.5	83.6	83.9	96.8	99.5	90.4	98.8	98.8	89.8	89.8	38.6	37.7	99.1	88.1	75.3	94.3	85.4	71.1	74.3	65.2	85.3	93.5	62.4	18.993
InVirtuoGen2026.03		95	73.3	79.8	74.8	98.5	84.5	95.2	96.8	87.4	82.5	34.2	28.8	79.7	87	64.5	94.2	84.8	58.9	70.9	62.5	59.5	21	53.6	16.676
Gen. GFN2026.03		94.9	76.1	80.2	73.3	97.4	85.6	88.1	96.9	89.7	76.4	37.9	29.4	70.8	86	59.5	94.2	81.9	61.5	63.4	58.3	51.1	13.5	55.2	16.213
GenMol2026.03		93.7	81	82.6	96	99.5	89.4	98.6	94.2	83.3	90.6	39.8	35.9	98.2	87.6	71.8	94.2	82.1	62.8	58.4	69.2	86.7	82.2	58.4	18.362
Mol GA2026.03		89.6	68.8	56.7	64.9	93.6	82.5	84.3	87.8	86.5	70.2	25.7	30.1	59.1	84.4	54.7	94.1	80.4	52.7	58.2	51.9	42.7	0	51.9	14.708
REINVENT2026.03		88.2	63.5	71.3	66.6	94.5	78.4	86.5	85.2	64.2	78.3	35.6	27.6	61.8	83.7	53.7	94.1	76	56	2.1	53.4	44.1	17.8	35.8	14.184