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results for #113 #127

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Jul 29, 2024
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results for #113 #127

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279764c
results(kiba): retrained gvpl mdl (+ additional run due to premature …
jyaacoub Jul 24, 2024
9112227
results(pdbbind): retrained gvpl #113
jyaacoub Jul 24, 2024
27affd7
Merge branch 'main' into development
jyaacoub Jul 29, 2024
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15 changes: 10 additions & 5 deletions results/v113/model_media/model_stats.csv
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -39,11 +39,11 @@ DGM_PDBbind1D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.66161
DGM_PDBbind2D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6547720831157129,0.4674109621848075,0.4473761042353416,2.911396055546887,1.350302681084595,1.7062813529857517
DGM_PDBbind3D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6590676461310532,0.4730640252598409,0.4579028540331872,2.813666484139417,1.3159578356701942,1.6773987254494436
DGM_PDBbind4D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6560204986341623,0.4656808967835565,0.4491845247551415,2.830198214336796,1.3234003991911518,1.6823192961910638
GVPLM_kiba0D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6916246228601947,0.5614767553441977,0.4996457822085293,1.395078889806946,1.0094453810491737,1.181134577347961
GVPLM_kiba3D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6563609963973004,0.5357178296100711,0.4197069130416901,1.1612746598503312,0.8684839913064618,1.0776245449368398
GVPLM_kiba1D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6676856814770858,0.5583291036072489,0.443468456589727,1.3486743771266174,0.9835523785170164,1.161324406497434
GVPLM_kiba4D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.706312738166959,0.618586606318348,0.5346567955843519,1.2316886588884002,0.945708981855823,1.1098146957435733
GVPLM_kiba2D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6999996243009051,0.5844167249718527,0.5172933123278608,1.1060115689114345,0.8743866055307609,1.051670846278166
GVPLM_kiba0D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6957665780250288,0.5838133707664442,0.5115312000446564,1.264762385547201,0.9538195195842524,1.1246165504505083
GVPLM_kiba3D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6757982984906384,0.586575219855741,0.4670270634723705,1.2164251199900549,0.9190670199514548,1.102916642357914
GVPLM_kiba1D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6675079248629828,0.5793361923186403,0.4441440169131694,1.4572735097654153,1.038255336908498,1.20717584044969
GVPLM_kiba4D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7143792842830359,0.6292171229653212,0.5537120703645779,1.2594334861474077,0.9614670988683506,1.122244842334955
GVPLM_kiba2D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6915915103975998,0.5903577637262755,0.5016836032448823,1.3673218786544237,1.0037740293852897,1.169325394684655
GVPLM_kiba4D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.7028775926753292,0.5511820968815552,0.5274587057439738,0.5191856014604727,0.464434987594827,0.7205453500373676
GVPLM_kiba3D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.6974533040075589,0.5366909353583093,0.5092679820627712,0.5267452909346243,0.4756001094118965,0.7257722031978245
GVPLM_kiba2D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.6914933128392398,0.5535320315157304,0.4991690641632494,0.5167043183823063,0.4684151935594994,0.7188214787986696
Expand All @@ -59,3 +59,8 @@ GVPLM_PDBbind1D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635
GVPLM_PDBbind2D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.6073794252279185,0.300904510298725,0.3141960696982953,3.5527159664685373,1.497829202900039,1.8848649730069624
GVPLM_PDBbind3D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.5544194125815396,0.1962498205943712,0.1602389373350445,3.559013089849939,1.5262607894024975,1.886534677616592
GVPLM_PDBbind4D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.6222734472562935,0.38283753210340116,0.3603062880559139,3.0631035175351524,1.389417946315663,1.7501724250870692
GVPLM_PDBbind0D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6824217709704234,0.5355624365006405,0.5214520522687798,2.508954770327299,1.2599501438986245,1.5839680458668663
GVPLM_PDBbind1D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6656636868825289,0.4953253098232221,0.4799841754129464,2.657958025066689,1.2946022331553115,1.6303245152627404
GVPLM_PDBbind3D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6700670164592162,0.4969807340196773,0.4881748445456771,2.705643016713388,1.3117734066774116,1.6448838915599449
GVPLM_PDBbind2D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6702981843182706,0.5053758475340999,0.49303468883946777,2.6066636275933117,1.281658409330104,1.614516530603918
GVPLM_PDBbind4D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6619601430574337,0.4532875472946392,0.4673097895002285,2.758347100415967,1.3223039284886868,1.66082723376514
15 changes: 10 additions & 5 deletions results/v113/model_media/model_stats_val.csv
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -39,11 +39,11 @@ DGM_PDBbind1D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.69187
DGM_PDBbind2D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6664571269002308,0.5086157319827234,0.4766146235124788,2.7894558492182133,1.3283703922279295,1.6701664136301548
DGM_PDBbind3D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6611219451160404,0.5089255012900505,0.4600979435412906,2.783708713595093,1.3037198611195124,1.6684449986724446
DGM_PDBbind4D_nomsaF_binaryE_64B_0.0001LR_0.4D_2000E_originalLF_binaryLE,0.6534984333863754,0.4396685778489655,0.4407730853652159,2.576893253351179,1.2700988720333766,1.605270461122106
GVPLM_kiba0D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6733090385648975,0.5445900684839073,0.4521990415567309,1.2826114472884644,0.9411753130130744,1.1325243694015878
GVPLM_kiba3D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6662243896458074,0.4993110854957338,0.4421583024717247,1.2516487322969612,0.9116905590693156,1.1187710812748786
GVPLM_kiba1D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7040956155872347,0.5619996771694697,0.5255565499914184,1.6135555044624046,1.09047767273585,1.2702580464072664
GVPLM_kiba4D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7177100067210386,0.6378039890592351,0.5549280580594628,1.2182558614793937,0.9438271032744332,1.1037462849221251
GVPLM_kiba2D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7581840462826792,0.6821950063412816,0.643349960216416,0.8554240645192899,0.7355428603612219,0.9248913798491636
GVPLM_kiba0D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6614540373414441,0.5296266194820323,0.4223198699410089,1.2320777334485078,0.905795518328382,1.1099899699765343
GVPLM_kiba3D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.6800809282133358,0.5286906450431664,0.4745456437640326,1.290708196014998,0.943555731455485,1.1360933922944003
GVPLM_kiba1D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7100737077608829,0.579875132710699,0.544397841437905,1.6596627767616523,1.1163677944342296,1.2882789980286309
GVPLM_kiba4D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7258330648894865,0.6597963730571995,0.5812138146370469,1.1967368121440674,0.9311869807933506,1.0939546664026198
GVPLM_kiba2D_nomsaF_binaryE_32B_3.372637625954074e-05LR_0.09399264336737133D_2000E_gvpLF_binaryLE,0.7482158680347814,0.6725465933427978,0.6226965967210863,1.118090753531104,0.8733063678103169,1.05739810550762
GVPLM_kiba4D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.6989113278386156,0.6451542686142409,0.5034844342783885,0.4038230338246696,0.4156683528230258,0.6354707183062566
GVPLM_kiba3D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.7422723180937305,0.5910071794468137,0.6044807220207702,0.4584843911137911,0.4115796661883425,0.677114754760071
GVPLM_kiba2D_nomsaF_aflowE_16B_0.00010990897170411903LR_0.03599877069828837D_2000E_gvpLF_binaryLE,0.7926024955332317,0.7374112888096318,0.7063431040772125,0.32468252989801,0.3579667507508575,0.5698092048203591
Expand All @@ -59,3 +59,8 @@ GVPLM_PDBbind1D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635
GVPLM_PDBbind2D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.6141731947137768,0.3644634107975009,0.3328003860926398,3.1989141378067982,1.408361079518094,1.788550848538223
GVPLM_PDBbind3D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.5536881344717306,0.192581089791613,0.1606937190574807,3.4912679264408366,1.4810306765899366,1.8684934911422184
GVPLM_PDBbind4D_nomsaF_aflowE_128B_0.00020048122460779208LR_0.042268679447260635D_2000E_gvpLF_binaryLE,0.628428758706968,0.3807074065686098,0.3759327635419598,2.9551973425576046,1.3590244197523815,1.7190687428249065
GVPLM_PDBbind0D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6666733971721781,0.4982454317143745,0.4768234018970997,2.4934332314993397,1.2392872720365955,1.5790608701058169
GVPLM_PDBbind1D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6683546911073229,0.5090428042318984,0.4885762353711537,2.6794659018658553,1.3146692968550182,1.6369074200656113
GVPLM_PDBbind3D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6700472553596728,0.5262366941090986,0.4856661553473367,2.547654738282967,1.2552354728891737,1.596137443418632
GVPLM_PDBbind2D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6651322880352583,0.5141050872756818,0.4724790298911236,2.6208198064946755,1.2787153456892286,1.6188946248890554
GVPLM_PDBbind4D_nomsaF_binaryE_128B_0.00020066831190641135LR_0.4661593536060576D_2000E_gvpLF_binaryLE,0.6238086089810755,0.3553733850667172,0.3627133280834126,2.75811948544943,1.3330639137162104,1.6607587077746817
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