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Development #100

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merged 12 commits into from
May 23, 2024
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results: updated GVPL_aflow results #90
Since its training got truncated I trained it for an additional 2000K epochs.
jyaacoub committed May 23, 2024
commit 440742ffd22bde0eef46e62724b1ab811b9f90ce
10 changes: 5 additions & 5 deletions results/model_media/model_stats.csv
Original file line number Diff line number Diff line change
@@ -177,8 +177,8 @@ DGM_PDBbind3D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_20
DGM_PDBbind4D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.7085153085744522,0.6208329976682688,0.5859156875580817,2.2240677925526744,1.1722256461779277,1.4913308796349234
DGM_PDBbind2D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.6947751328102371,0.5816010010184015,0.5528265670239861,2.3897321791041333,1.2105133893376303,1.545875861479224
DGM_PDBbind0D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.6855330290119371,0.5726521315119578,0.5325884299986027,2.4758763933999823,1.231696826806144,1.57349178370908
GVPLM_davis0D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7225195789989173,0.4575254682075667,0.3957484802515247,0.5427539693765011,0.4369798670231278,0.7367183786064395
GVPLM_davis1D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.768273891734927,0.550820565016249,0.4743629412347014,0.4386155945851842,0.3857342461707244,0.6622806010938145
GVPLM_davis3D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.758563301285117,0.5359973428867091,0.4570550815683767,0.4664132075464084,0.3750128352438476,0.6829445127873921
GVPLM_davis2D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7667009721589887,0.5237009547503184,0.4717199831509915,0.4657818868262186,0.4014121167347598,0.6824821512876499
GVPLM_davis4D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7640840624844574,0.469151528245374,0.46840136067291405,0.5681020417003388,0.40473670434680337,0.7537254418555466
GVPLM_davis0D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7581108896345126,0.48942831390709474,0.45529634961852566,0.5072034546494222,0.4161494350523831,0.7121821779919953
GVPLM_davis1D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.768273891734927,0.550820575655664,0.4743629409308578,0.4386155850598172,0.3857342382535988,0.6622805939024767
GVPLM_davis3D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7603887296892994,0.5280132204660057,0.4597706307310624,0.4791434307834897,0.3716412002266697,0.6922018714099881
GVPLM_davis2D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7694890904708525,0.5217685104759502,0.4753118765332927,0.4673188139402668,0.4174866665020387,0.6836072073495618
GVPLM_davis4D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.760520722940427,0.5078128106282308,0.4629361403886756,0.5235965111752061,0.3783202273117297,0.723599689866715
10 changes: 5 additions & 5 deletions results/model_media/model_stats_val.csv
Original file line number Diff line number Diff line change
@@ -156,8 +156,8 @@ DGM_PDBbind3D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_20
DGM_PDBbind4D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.6980325998261337,0.5867948698567493,0.5613217730433377,2.504824019579536,1.2573465726293105,1.5826635838293417
DGM_PDBbind2D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.6760856277267194,0.5188577783623333,0.5051689763782492,2.7333317052016373,1.2894853849669785,1.653279076623677
DGM_PDBbind0D_nomsaF_aflowE_128B_0.0009185598967356679LR_0.22880989869337157D_2000E_originalLF_binaryLE,0.678631965986838,0.5169422908392893,0.5136610285075189,2.659271637069346,1.2811931355709805,1.6307273337591868
GVPLM_davis0D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7783710130892696,0.5718778641800438,0.4758255369153513,0.4857489830145692,0.4074000300479536,0.6969569448786411
GVPLM_davis1D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7767585519522199,0.5805240945341746,0.4946235296770005,0.4138118391152781,0.3817763880632616,0.6432820836268317
GVPLM_davis3D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.8095418770724395,0.6257075667714461,0.5266623172606217,0.384533279190219,0.3324958364244204,0.6201074739028865
GVPLM_davis2D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7908719708385897,0.5916465085390504,0.5392902578411448,0.4625746646032492,0.3958128445845247,0.6801284177295117
GVPLM_davis4D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7823342089625183,0.5986398849828598,0.5161821961352381,0.4812662225772087,0.3780605042003364,0.6937335385990854
GVPLM_davis0D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7727048764494124,0.5829543940410362,0.46680064762373447,0.4654286995546293,0.3997238369103796,0.6822233501974476
GVPLM_davis1D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7767585519522199,0.5805240837724788,0.4946235296015073,0.4138118485637668,0.3817763907346182,0.6432820909708017
GVPLM_davis3D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.8202768328439823,0.6402255623870499,0.5435232833589796,0.3676188640274792,0.3097654533567193,0.6063158121206136
GVPLM_davis2D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7854232789039847,0.5996614387831698,0.527865354318397,0.4509265081187592,0.4061779738808213,0.67151061653466
GVPLM_davis4D_nomsaF_aflowE_128B_0.0001360163557088453LR_0.027175922988649594D_2000E_gvpLF_binaryLE,0.7849321063417397,0.6186046172952341,0.5194671423553721,0.4498645421549498,0.3525368623308257,0.670719421334249