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DataSet DataRange DataStruct Algorithm Tweak tElap tElapSlower tInit tRun tRunSlower CheckSum
chembl_22.smi 0-167839 AtomContainer Relaxation AtomIter 71742.5 74.7x 0 71742.5 119.1x 58458704854271
chembl_22.smi 0-167839 AtomContainer Relaxation BondIter 4843.7 5.0x 0 4843.7 8.0x 58458704854271
chembl_22.smi 0-167839 GraphUtil Relaxation AtomIter 999.9 1.0x 396.5 603.4 1.0x 58458704854271
chembl_22.smi 0-167839 AtomRef Relaxation AtomIter 2066.9 2.2x 581.3 1485.7 2.5x 58458704854271
chembl_22.smi 0-167839 AtomRef Relaxation AtomIter+Xor 1584.3 1.6x 319.7 1264.5 2.1x 58458704854271
chembl_22.smi 0-167839 AtomRef Relaxation BondIter 960.9 1.0x 358.5 602.4 1.0x 58458704854271
chembl_22.smi 0-167839 GraphUtil+BondMap Relaxation AtomIter 1597.5 1.7x 992.9 604.6 1.0x 58458704854271
chembl_22.smi 167839-335678 AtomContainer Relaxation AtomIter 85300 84.7x 0 85300 132.5x 97216355080497
chembl_22.smi 167839-335678 AtomContainer Relaxation BondIter 5692.7 5.7x 0 5692.7 8.8x 97216355080497
chembl_22.smi 167839-335678 GraphUtil Relaxation AtomIter 1043.7 1.0x 399.9 643.8 1.0x 97216355080497
chembl_22.smi 167839-335678 AtomRef Relaxation AtomIter 2190.7 2.2x 593.5 1597.1 2.5x 97216355080497
chembl_22.smi 167839-335678 AtomRef Relaxation AtomIter+Xor 1681.1 1.7x 326.5 1354.5 2.1x 97216355080497
chembl_22.smi 167839-335678 AtomRef Relaxation BondIter 1007.4 1.0x 363.8 643.6 1.0x 97216355080497
chembl_22.smi 167839-335678 GraphUtil+BondMap Relaxation AtomIter 1680.8 1.7x 1035.3 645.5 1.0x 97216355080497
chembl_22.smi 335678-503517 AtomContainer Relaxation AtomIter 93454.6 89.6x 0 93454.6 139.7x 139230775908721
chembl_22.smi 335678-503517 AtomContainer Relaxation BondIter 6201.6 5.9x 0 6201.6 9.3x 139230775908721
chembl_22.smi 335678-503517 GraphUtil Relaxation AtomIter 1079.1 1.0x 410.1 669 1.0x 139230775908721
chembl_22.smi 335678-503517 AtomRef Relaxation AtomIter 2282.9 2.2x 610.7 1672.2 2.5x 139230775908721
chembl_22.smi 335678-503517 AtomRef Relaxation AtomIter+Xor 1755.8 1.7x 340.5 1415.3 2.1x 139230775908721
chembl_22.smi 335678-503517 AtomRef Relaxation BondIter 1043.3 1.0x 367.2 676.1 1.0x 139230775908721
chembl_22.smi 335678-503517 GraphUtil+BondMap Relaxation AtomIter 1756.7 1.7x 1084.9 671.8 1.0x 139230775908721
chembl_22.smi 503517-671356 AtomContainer Relaxation AtomIter 196330.6 172.4x 0 196330.6 260.7x 182342084275319
chembl_22.smi 503517-671356 AtomContainer Relaxation BondIter 12714 11.2x 0 12714 16.9x 182342084275319
chembl_22.smi 503517-671356 GraphUtil Relaxation AtomIter 1166.8 1.0x 413.8 753.1 1.0x 182342084275319
chembl_22.smi 503517-671356 AtomRef Relaxation AtomIter 2500.8 2.2x 593.2 1907.6 2.5x 182342084275319
chembl_22.smi 503517-671356 AtomRef Relaxation AtomIter+Xor 1940.2 1.7x 327.3 1612.9 2.1x 182342084275319
chembl_22.smi 503517-671356 AtomRef Relaxation BondIter 1138.7 1.0x 356.6 782.1 1.0x 182342084275319
chembl_22.smi 503517-671356 GraphUtil+BondMap Relaxation AtomIter 1845.1 1.6x 1091.5 753.6 1.0x 182342084275319
chembl_22.smi 671356-839195 AtomContainer Relaxation AtomIter 20854.1 31.7x 0 20854.1 57.0x 218222513744777
chembl_22.smi 671356-839195 AtomContainer Relaxation BondIter 1509.9 2.3x 0 1509.9 4.1x 218222513744777
chembl_22.smi 671356-839195 GraphUtil Relaxation AtomIter 697.6 1.1x 316.4 381.2 1.0x 218222513744777
chembl_22.smi 671356-839195 AtomRef Relaxation AtomIter 1395.9 2.1x 493.9 902 2.5x 218222513744777
chembl_22.smi 671356-839195 AtomRef Relaxation AtomIter+Xor 1033.7 1.6x 264.7 769 2.1x 218222513744777
chembl_22.smi 671356-839195 AtomRef Relaxation BondIter 658.7 1.0x 292.9 365.7 1.0x 218222513744777
chembl_22.smi 671356-839195 GraphUtil+BondMap Relaxation AtomIter 1093.3 1.7x 707.6 385.7 1.1x 218222513744777
chembl_22.smi 839195-1007034 AtomContainer Relaxation AtomIter 61153.8 80.8x 0 61153.8 134.8x 255265342320637
chembl_22.smi 839195-1007034 AtomContainer Relaxation BondIter 4009.1 5.3x 0 4009.1 8.8x 255265342320637
chembl_22.smi 839195-1007034 GraphUtil Relaxation AtomIter 794.5 1.0x 333.3 461.2 1.0x 255265342320637
chembl_22.smi 839195-1007034 AtomRef Relaxation AtomIter 1635.7 2.2x 515 1120.7 2.5x 255265342320637
chembl_22.smi 839195-1007034 AtomRef Relaxation AtomIter+Xor 1242.3 1.6x 291.9 950.4 2.1x 255265342320637
chembl_22.smi 839195-1007034 AtomRef Relaxation BondIter 757.1 1.0x 303.4 453.7 1.0x 255265342320637
chembl_22.smi 839195-1007034 GraphUtil+BondMap Relaxation AtomIter 1250.8 1.7x 787.5 463.3 1.0x 255265342320637
chembl_22.smi 1007034-1174873 AtomContainer Relaxation AtomIter 67425.6 75.6x 0 67425.6 123.2x 298817836726655
chembl_22.smi 1007034-1174873 AtomContainer Relaxation BondIter 4520 5.1x 0 4520 8.3x 298817836726655
chembl_22.smi 1007034-1174873 GraphUtil Relaxation AtomIter 914.4 1.0x 367.2 547.2 1.0x 298817836726655
chembl_22.smi 1007034-1174873 AtomRef Relaxation AtomIter 1905.1 2.1x 557.2 1347.9 2.5x 298817836726655
chembl_22.smi 1007034-1174873 AtomRef Relaxation AtomIter+Xor 1442.4 1.6x 297.3 1145.1 2.1x 298817836726655
chembl_22.smi 1007034-1174873 AtomRef Relaxation BondIter 892.1 1.0x 342.8 549.4 1.0x 298817836726655
chembl_22.smi 1007034-1174873 GraphUtil+BondMap Relaxation AtomIter 1456.5 1.6x 907.3 549.2 1.0x 298817836726655
chembl_22.smi 1174873-1342712 AtomContainer Relaxation AtomIter 126009.3 115.6x 0 126009.3 175.9x 339264487948034
chembl_22.smi 1174873-1342712 AtomContainer Relaxation BondIter 8267.6 7.6x 0 8267.6 11.5x 339264487948034
chembl_22.smi 1174873-1342712 GraphUtil Relaxation AtomIter 1125.9 1.0x 409.4 716.5 1.0x 339264487948034
chembl_22.smi 1174873-1342712 AtomRef Relaxation AtomIter 2430.2 2.2x 616.9 1813.4 2.5x 339264487948034
chembl_22.smi 1174873-1342712 AtomRef Relaxation AtomIter+Xor 1857.8 1.7x 329 1528.8 2.1x 339264487948034
chembl_22.smi 1174873-1342712 AtomRef Relaxation BondIter 1090.1 1.0x 357.9 732.2 1.0x 339264487948034
chembl_22.smi 1174873-1342712 GraphUtil+BondMap Relaxation AtomIter 1811.5 1.7x 1094.7 716.9 1.0x 339264487948034
chembl_22.smi 1342712-1510551 AtomContainer Relaxation AtomIter 103235.2 101.0x 0 103235.2 159.9x 375170275966217
chembl_22.smi 1342712-1510551 AtomContainer Relaxation BondIter 6876.2 6.7x 0 6876.2 10.6x 375170275966217
chembl_22.smi 1342712-1510551 GraphUtil Relaxation AtomIter 1037.1 1.0x 391.3 645.8 1.0x 375170275966217
chembl_22.smi 1342712-1510551 AtomRef Relaxation AtomIter 2209.6 2.2x 585.3 1624.4 2.5x 375170275966217
chembl_22.smi 1342712-1510551 AtomRef Relaxation AtomIter+Xor 1703.8 1.7x 326.5 1377.3 2.1x 375170275966217
chembl_22.smi 1342712-1510551 AtomRef Relaxation BondIter 1021.8 1.0x 360.2 661.6 1.0x 375170275966217
chembl_22.smi 1342712-1510551 GraphUtil+BondMap Relaxation AtomIter 1674.8 1.6x 1020.3 654.4 1.0x 375170275966217
chembl_22.smi 1510551-1678390 AtomContainer Relaxation AtomIter 61873.6 71.6x 0 61873.6 117.1x 411295858660229
chembl_22.smi 1510551-1678390 AtomContainer Relaxation BondIter 4183.8 4.8x 0 4183.8 7.9x 411295858660229
chembl_22.smi 1510551-1678390 GraphUtil Relaxation AtomIter 885.2 1.0x 356.9 528.3 1.0x 411295858660229
chembl_22.smi 1510551-1678390 AtomRef Relaxation AtomIter 1872.2 2.2x 560.6 1311.6 2.5x 411295858660229
chembl_22.smi 1510551-1678390 AtomRef Relaxation AtomIter+Xor 1413.4 1.6x 298.6 1114.8 2.1x 411295858660229
chembl_22.smi 1510551-1678390 AtomRef Relaxation BondIter 864.4 1.0x 325.8 538.6 1.0x 411295858660229
chembl_22.smi 1510551-1678390 GraphUtil+BondMap Relaxation AtomIter 1418.1 1.6x 886.9 531.2 1.0x 411295858660229