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

84.7COV-R (mean)MCF - L

Evaluation Results

Method
MCF - L2025.12	84.7	92.2	0.39	0.247	66.8	71.3	0.618	0.53
MCF - L2026.04	84.7	92.2	0.39	0.247	66.8	71.3	0.618	0.53
MCF - B2025.12	84	91.5	0.427	0.402	64	66.2	0.667	0.605
MCF - B2026.04	84	91.5	0.427	0.402	64	66.2	0.667	0.605
AvgFlow DiT2025.12	82	86.7	0.428	0.401	72.9	78.4	0.566	0.506
AvgFlow DiT-L2025.12	82	87.3	0.409	0.381	75.7	81.9	0.516	0.456
ET-Flow + Quotient-space diffusion2026.04	79.86	85.71	0.459	0.433	72.7	79.63	0.565	0.501
ET-Flow - SS2025.12	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-Flow2025.12	79.53	84.57	0.452	0.419	74.38	81.04	0.541	0.47
ET-Flow2026.04	79.53	84.57	0.452	0.419	74.38	81.04	0.541	0.47
MCF - S2025.12	79.4	87.5	0.512	0.492	57.4	57.6	0.761	0.715
MCF - S2026.04	79.4	87.5	0.512	0.492	57.4	57.6	0.761	0.715
ET-Flow + reproduction2026.04	78.94	84.24	0.489	0.472	66.24	70.42	0.651	0.595
EnFlow2025.12	78.8	84.6	0.475	0.455	70.7	76.9	0.59	0.521
ET-Flow(SO(3)) + Quotient-space diffusion2026.04	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
EnFlow2025.12	77.2	82.3	0.499	0.479	70	76.5	0.607	0.541
AvgFlow NequIP2025.12	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-Reflow2025.12	75.7	81.8	0.545	0.533	57.2	59	0.748	0.705
ET-Flow(SO(3)) + Geodiff alignment2026.04	75.11	80.74	0.545	0.526	59.58	60.48	0.734	0.678
ET-Flow(SO(3)) + reproduction2026.04	74.91	80.9	0.541	0.515	60.33	62.71	0.724	0.665
EnFlow Reflow2025.12	74.3	80	0.566	0.548	60.6	63.5	0.719	0.666
ET-Flow2025.12	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 alignment2026.04	71.66	76.09	0.572	0.57	52.21	50	0.828	0.793
EnFlow2025.12	70.7	74.6	0.596	0.578	69.1	75.7	0.623	0.575
AvgFlow NequIP-Rreflow2025.12	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-L2025.12	54.2	54.4	0.752	0.746	25.7	18.8	1.119	1.115
EnFlow2025.12	53.1	50	0.802	0.773	54.3	56.3	0.773	0.743
MCF-B2025.12	46.7	42.4	0.79	0.791	21.5	13.2	1.155	0.715
GeoMol2025.12	44.6	41.4	0.875	0.834	43	36.4	0.928	0.841
GeoMol2026.04	44.6	41.4	0.875	0.834	43	36.4	0.928	0.841
GeoDiff2025.12	42.1	37.8	0.835	0.809	24.9	14.5	1.136	1.09
GeoDiff2026.04	42.1	37.8	0.835	0.809	24.9	14.5	1.136	1.09
ET-Flow2025.12	27.6	8.8	0.996	1.006	25.7	5.8	0.939	0.929
MCF-L2025.12	27.2	13.6	0.932	0.928	8.9	2.9	1.511	1.514
MCF-B2025.12	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