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a31 (20, 37, 23) 79.8316954043707883

optgeo_OpenFF_Gen_2_Opt_Set_5_Bayer-144

Image RemovedImage Added

a31 , 18433638, [((3, 7(1, 9, 5) , 94.05146317022735)]93.28285272411962

optgeo_OpenFF_Gen_2_Opt_Set_2_Coverage-1

a31 (13, 20, 15) 91.41732991610797

optgeo_OpenFF_Gen_2_Opt_Set_4_eMolecules_Discrepancy-15

a31 (10, 22, 15) 94.85743954976877

optgeo_OpenFF_Gen_2_Opt_Set_4_eMolecules_Discrepancy-15

a31 (9, 14, 11) 102.40121164317542

optgeo_OpenFF_Gen_2_Opt_Set_1_Roche-5

a31 (9, 16, 14) 103.54432532273637

optgeo_OpenFF_Gen_2_Opt_Set_4_eMolecules_Discrepancy-43

a31 (5, 13, 8) 99.96229326353198

a31 (6, 14, 7) 103.11892086816074

optgeo_OpenFF_Gen_2_Opt_Set_5_Bayer-063

a31 (10, 26, 11) 106.8675937259075

optgeo_OpenFF_Gen_2_Opt_Set_5_Bayer-156

a31 (3, 7, 4) 102.71334771318287

a31 (3, 7, 5) 100.36274155448749

a31 (4, 7, 5) 115.10955833869963

optgeo_OpenFF_Gen_2_Opt_Set_2_Coverage-1