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Molecule Conformer Generation on GEOM-Drugs δ = 0.75Å (test)

84.7COV-R (mean)

MCF - L

Updated 1mo ago

Evaluation Results

Method
MCF - L 2025.12	84.7	92.2	0.39	0.247	66.8	71.3	0.618	0.53
MCF - L 2026.04	84.7	92.2	0.39	0.247	66.8	71.3	0.618	0.53
MCF - B 2025.12	84	91.5	0.427	0.402	64	66.2	0.667	0.605
MCF - B 2026.04	84	91.5	0.427	0.402	64	66.2	0.667	0.605
AvgFlow DiT 2025.12	82	86.7	0.428	0.401	72.9	78.4	0.566	0.506
AvgFlow DiT-L 2025.12	82	87.3	0.409	0.381	75.7	81.9	0.516	0.456
ET-Flow + Quotient-space diffusion 2026.04	79.86	85.71	0.459	0.433	72.7	79.63	0.565	0.501
ET-Flow - SS 2025.12	79.62	84.63	0.439	0.406	75.19	81.66	0.517	0.442
ET-Flow (reproduced) 2025.12	79.54	85	0.47	0.444	69.79	75.53	0.604	0.538
ET-Flow 2025.12	79.53	84.57	0.452	0.419	74.38	81.04	0.541	0.47
ET-Flow 2026.04	79.53	84.57	0.452	0.419	74.38	81.04	0.541	0.47
MCF - S 2025.12	79.4	87.5	0.512	0.492	57.4	57.6	0.761	0.715
MCF - S 2026.04	79.4	87.5	0.512	0.492	57.4	57.6	0.761	0.715
ET-Flow + reproduction 2026.04	78.94	84.24	0.489	0.472	66.24	70.42	0.651	0.595
EnFlow 2025.12	78.8	84.6	0.475	0.455	70.7	76.9	0.59	0.521
ET-Flow(SO(3)) + Quotient-space diffusion 2026.04	78.5	84.2	0.477	0.455	67.35	71.42	0.635	0.563
ET-Flow - SO(3) 2025.12	78.18	83.33	0.48	0.459	67.27	71.15	0.637	0.567
ET-Flow(SO(3)) 2026.04	78.18	83.33	0.48	0.459	67.27	71.15	0.637	0.567
EnFlow 2025.12	77.2	82.3	0.499	0.479	70	76.5	0.607	0.541
AvgFlow NequIP 2025.12	76.8	83.6	0.523	0.511	60.6	63.5	0.706	0.67
AvgFlow DiT-(Reflow+Distill) 2025.12	76.8	82.8	0.548	0.541	61	64	0.72	0.675
AvgFlow DiT-Reflow 2025.12	75.7	81.8	0.545	0.533	57.2	59	0.748	0.705
ET-Flow(SO(3)) + Geodiff alignment 2026.04	75.11	80.74	0.545	0.526	59.58	60.48	0.734	0.678
ET-Flow(SO(3)) + reproduction 2026.04	74.91	80.9	0.541	0.515	60.33	62.71	0.724	0.665
EnFlow Reflow 2025.12	74.3	80	0.566	0.548	60.6	63.5	0.719	0.666
ET-Flow 2025.12	73.2	76.6	0.577	0.563	63.8	67.9	0.681	0.643
Torsional Diff. 2025.12	72.7	80	0.582	0.565	55.2	56.9	0.778	0.729
Torsional Diff. 2026.04	72.7	80	0.582	0.565	55.2	56.9	0.778	0.729
ET-Flow (reproduced) 2025.12	72.3	76.9	0.592	0.583	58.3	60.4	0.733	0.699
ET-Flow(SO(3)) + AF3 alignment 2026.04	71.66	76.09	0.572	0.57	52.21	50	0.828	0.793
EnFlow 2025.12	70.7	74.6	0.596	0.578	69.1	75.7	0.623	0.575
AvgFlow NequIP-Rreflow 2025.12	64.2	67.7	0.663	0.661	43.1	38.9	0.871	0.853
AvgFlow NequIP-(Reflow+Distill) 2025.12	55.6	56.8	0.739	0.734	36.4	30.5	0.912	0.888
MCF-L 2025.12	54.2	54.4	0.752	0.746	25.7	18.8	1.119	1.115
EnFlow 2025.12	53.1	50	0.802	0.773	54.3	56.3	0.773	0.743
MCF-B 2025.12	46.7	42.4	0.79	0.791	21.5	13.2	1.155	0.715
GeoMol 2025.12	44.6	41.4	0.875	0.834	43	36.4	0.928	0.841
GeoMol 2026.04	44.6	41.4	0.875	0.834	43	36.4	0.928	0.841
GeoDiff 2025.12	42.1	37.8	0.835	0.809	24.9	14.5	1.136	1.09
GeoDiff 2026.04	42.1	37.8	0.835	0.809	24.9	14.5	1.136	1.09
ET-Flow 2025.12	27.6	8.8	0.996	1.006	25.7	5.8	0.939	0.929
MCF-L 2025.12	27.2	13.6	0.932	0.928	8.9	2.9	1.511	1.514
MCF-B 2025.12	22.1	6.9	0.962	0.967	7.6	1.5	1.535	1.541
ET-Flow (reproduced) 2025.12	14	0	1.116	1.142	10.7	0	1.122	1.125