From 9a04cb84d0cfc15f9f1979b70a0e34d5d329aff8 Mon Sep 17 00:00:00 2001
From: Schneider Leo <leo.schneider@etu.ec-lyon.fr>
Date: Wed, 4 Dec 2024 14:32:26 +0100
Subject: [PATCH] data_augmented isa

---
 constant.py                              |      2 +-
 data/data_ISA/isa_data_augmented_005.csv | 116687 ++++++++++++++
 data/data_ISA/isa_data_augmented_01.csv  | 125014 +++++++++++++++
 data/data_ISA/isa_data_augmented_02.csv  | 169309 ++++++++++++++++++++
 data/data_viz.py                         |    121 +-
 5 files changed, 411108 insertions(+), 25 deletions(-)
 create mode 100644 data/data_ISA/isa_data_augmented_005.csv
 create mode 100644 data/data_ISA/isa_data_augmented_01.csv
 create mode 100644 data/data_ISA/isa_data_augmented_02.csv

diff --git a/constant.py b/constant.py
index 652ace3..2c70fe3 100644
--- a/constant.py
+++ b/constant.py
@@ -1,5 +1,5 @@
 ALPHABET_UNMOD = {
-    "_": 0,
+    "": 0,
     "A": 1,
     "C": 2,
     "D": 3,
diff --git a/data/data_ISA/isa_data_augmented_005.csv b/data/data_ISA/isa_data_augmented_005.csv
new file mode 100644
index 0000000..cf1d503
--- /dev/null
+++ b/data/data_ISA/isa_data_augmented_005.csv
@@ -0,0 +1,116687 @@
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+105975,VFMQPASEGTGIIAGGAMR,0.7432923107265825,holdout
+105976,VFMQPASEGTGIIAGGAMR,0.7783313935733793,holdout
+105977,VFMQPASEGTGIIAGGAMR,0.7853709514217275,holdout
+105978,VFMQPASEGTGIIAGGAMR,0.718112275366928,holdout
+105979,VFMQPASEGTGIIAGGAMR,0.7178589450347408,holdout
+105980,VFMQPASEGTGIIAGGAMR,0.7924309012886113,holdout
+105981,VFMQPASEGTGIIAGGAMR,0.7644299102456467,holdout
+105982,VFMQPASEGTGIIAGGAMR,0.7268554996415113,holdout
+105983,VFMQPASEGTGIIAGGAMR,0.7179602915578385,holdout
+105984,VFMQPASEGTGIIAGGAMR,0.7923096967820316,holdout
+105985,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+105986,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+105987,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+105988,VFMQPASEGTGIIAGGAMR,0.8083772751074596,holdout
+105989,VFMQPASEGTGIIAGGAMR,0.7266061716295154,holdout
+105990,VFMQPASEGTGIIAGGAMR,0.7430845574901275,holdout
+105991,VFMQPASEGTGIIAGGAMR,0.7346795305558742,holdout
+105992,VFMQPASEGTGIIAGGAMR,0.7569679688977544,holdout
+105993,VFMQPASEGTGIIAGGAMR,0.7570078191666441,holdout
+105994,VFMQPASEGTGIIAGGAMR,0.7708707408742574,holdout
+105995,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+105996,VFMQPASEGTGIIAGGAMR,0.7853306682881356,holdout
+105997,VFMQPASEGTGIIAGGAMR,0.7990142619789284,holdout
+105998,VFMQPASEGTGIIAGGAMR,0.7640703168255767,holdout
+105999,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+106000,VFMQPASEGTGIIAGGAMR,0.770910794699724,holdout
+106001,VFMQPASEGTGIIAGGAMR,0.7500425384865981,holdout
+106002,VFMQPASEGTGIIAGGAMR,0.7854112352210314,holdout
+106003,VFMQPASEGTGIIAGGAMR,0.7919865153333228,holdout
+106004,VFMQPASEGTGIIAGGAMR,0.7992141533211505,holdout
+106005,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+106006,VFMQPASEGTGIIAGGAMR,0.7779698944081921,holdout
+106007,VFMQPASEGTGIIAGGAMR,0.7573664970435661,holdout
+106008,VFMQPASEGTGIIAGGAMR,0.7639504628542686,holdout
+106009,VFMQPASEGTGIIAGGAMR,0.7917037679840924,holdout
+106010,VFMQPASEGTGIIAGGAMR,0.7848875977086824,holdout
+106011,VFMQPASEGTGIIAGGAMR,0.7778895682630917,holdout
+106012,VFMQPASEGTGIIAGGAMR,0.7505593762534284,holdout
+106013,VFMQPASEGTGIIAGGAMR,0.7778092446617202,holdout
+106014,VFMQPASEGTGIIAGGAMR,0.778010058435028,holdout
+106015,VFMQPASEGTGIIAGGAMR,0.7708707408742574,holdout
+106016,VFMQPASEGTGIIAGGAMR,0.7782510559659928,holdout
+106017,VFMQPASEGTGIIAGGAMR,0.7641502223885901,holdout
+106018,VFMQPASEGTGIIAGGAMR,0.7922288972531524,holdout
+106019,VFMQPASEGTGIIAGGAMR,0.7500822919525523,holdout
+106020,VFMQPASEGTGIIAGGAMR,0.7432526492021809,holdout
+106021,VFMQPASEGTGIIAGGAMR,0.7847265010581017,holdout
+106022,VFMQPASEGTGIIAGGAMR,0.7920269105848678,holdout
+106023,VFMQPASEGTGIIAGGAMR,0.7849278735302745,holdout
+106024,VFMQPASEGTGIIAGGAMR,0.7848875977086824,holdout
+106025,VFMQPASEGTGIIAGGAMR,0.7264066301094649,holdout
+106026,VFMQPASEGTGIIAGGAMR,0.7501618005260524,holdout
+106027,VFMQPASEGTGIIAGGAMR,0.7571273733663495,holdout
+106028,VFMQPASEGTGIIAGGAMR,0.7778494061445169,holdout
+106029,VFMQPASEGTGIIAGGAMR,0.7641502223885901,holdout
+106030,VFMQPASEGTGIIAGGAMR,0.7641102693154354,holdout
+106031,VFMQPASEGTGIIAGGAMR,0.7502810674918958,holdout
+106032,VFMQPASEGTGIIAGGAMR,0.7994639148514153,holdout
+106033,VFMQPASEGTGIIAGGAMR,0.7432923107265825,holdout
+106034,VFMQPASEGTGIIAGGAMR,0.7432526492021809,holdout
+106035,VFMQPASEGTGIIAGGAMR,0.7711911885408576,holdout
+106036,VFMQPASEGTGIIAGGAMR,0.7779698944081921,holdout
+106037,VFMQPASEGTGIIAGGAMR,0.7575259241540824,holdout
+106038,VFMQPASEGTGIIAGGAMR,0.8470377246762366,holdout
+106039,VFMQPASEGTGIIAGGAMR,0.8467957392588792,holdout
+106040,VFMQPASEGTGIIAGGAMR,0.8398315687351943,holdout
+106041,VFMQPASEGTGIIAGGAMR,0.8396706563654162,holdout
+106042,VFMQPASEGTGIIAGGAMR,0.8536522579084829,holdout
+106043,VFMQPASEGTGIIAGGAMR,0.8398315687351943,holdout
+106044,VFMQPASEGTGIIAGGAMR,0.8399120268845057,holdout
+106045,VFMQPASEGTGIIAGGAMR,0.8538137328377635,holdout
+106046,VFMQPASEGTGIIAGGAMR,0.860967442610864,holdout
+106047,VFMQPASEGTGIIAGGAMR,0.839710883967753,holdout
+106048,VFMQPASEGTGIIAGGAMR,0.846755409549961,holdout
+106049,VFMQPASEGTGIIAGGAMR,0.8537733633658391,holdout
+106050,ILDSKPAVLALNIQR,0.6928875523670532,holdout
+106051,ILDSKPAVLALNIQR,0.6510555782430405,holdout
+106052,ILDSKPAVLALNIQR,0.6572107484090157,holdout
+106053,ILDSKPAVLALNIQR,0.6571721034439384,holdout
+106054,ILDSKPAVLALNIQR,0.6640001320949431,holdout
+106055,ELDPMLKK,-0.7762644201034341,holdout
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+106061,ELDPMLKK,-0.8128024200148802,holdout
+106062,ELDPMLKK,-0.6831915740126759,holdout
+106063,YIELPDAYK,0.3910287848173448,holdout
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+106073,YIELPDAYK,0.3803694629095702,holdout
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+106124,YIELPDAYK,0.3737463032057015,holdout
+106125,AQNAQVAAGQLGGTPPVK,-0.3944460388201181,holdout
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+106139,MQQLQNVIESAFER,1.7575949438547984,holdout
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+111952,LLDNAAADLTAISGQKPLITK,1.180250206199755,holdout
+111953,LLDNAAADLTAISGQKPLITK,1.116956907812121,holdout
+111954,LLDNAAADLTAISGQKPLITK,1.1336217438656884,holdout
+111955,LLDNAAADLTAISGQKPLITK,1.1647202936017442,holdout
+111956,LLDNAAADLTAISGQKPLITK,1.141492978124933,holdout
+111957,LLDNAAADLTAISGQKPLITK,1.1647648300906814,holdout
+111958,LLDNAAADLTAISGQKPLITK,1.117450234276471,holdout
+111959,LLDNAAADLTAISGQKPLITK,1.1880311736363829,holdout
+111960,LLDNAAADLTAISGQKPLITK,1.1957654344940574,holdout
+111961,LLDNAAADLTAISGQKPLITK,1.1801167928715022,holdout
+111962,LLDNAAADLTAISGQKPLITK,1.1647202936017442,holdout
+111963,LLDNAAADLTAISGQKPLITK,1.1570547479762645,holdout
+111964,LLDNAAADLTAISGQKPLITK,1.1176475187665122,holdout
+111965,LLDNAAADLTAISGQKPLITK,1.1414481086151844,holdout
+111966,LLDNAAADLTAISGQKPLITK,1.1647648300906814,holdout
+111967,LLDNAAADLTAISGQKPLITK,1.157010144899254,holdout
+111968,LLDNAAADLTAISGQKPLITK,1.1646312197238924,holdout
+111969,LLDNAAADLTAISGQKPLITK,1.172554797233451,holdout
+111970,LLDNAAADLTAISGQKPLITK,1.157010144899254,holdout
+111971,LLDNAAADLTAISGQKPLITK,1.1648093662807737,holdout
+111972,LLDNAAADLTAISGQKPLITK,1.1493300297967963,holdout
+111973,LLDNAAADLTAISGQKPLITK,1.117450234276471,holdout
+111974,LLDNAAADLTAISGQKPLITK,1.157010144899254,holdout
+111975,LLDNAAADLTAISGQKPLITK,1.1648093662807737,holdout
+111976,LLDNAAADLTAISGQKPLITK,1.172421310423014,holdout
+111977,LLDNAAADLTAISGQKPLITK,1.188075629076593,holdout
+111978,LLDNAAADLTAISGQKPLITK,1.172510301810013,holdout
+111979,LLDNAAADLTAISGQKPLITK,1.1494641501522511,holdout
+111980,LLDNAAADLTAISGQKPLITK,1.1335315386941789,holdout
+111981,LLDNAAADLTAISGQKPLITK,1.1802946770902345,holdout
+111982,LLDNAAADLTAISGQKPLITK,1.108159733562768,holdout
+111983,LLDNAAADLTAISGQKPLITK,1.125066785509671,holdout
+111984,LLDNAAADLTAISGQKPLITK,1.1168088789314754,holdout
+111985,LLDNAAADLTAISGQKPLITK,1.1563410400030008,holdout
+111986,LLDNAAADLTAISGQKPLITK,1.1563856504682677,holdout
+111987,LLDNAAADLTAISGQKPLITK,1.1486146064528957,holdout
+111988,LLDNAAADLTAISGQKPLITK,1.171887346752781,holdout
+111989,LLDNAAADLTAISGQKPLITK,1.1878978068827868,holdout
+111990,LLDNAAADLTAISGQKPLITK,1.179538656886805,holdout
+111991,LLDNAAADLTAISGQKPLITK,1.1487934806299849,holdout
+111992,LLDNAAADLTAISGQKPLITK,1.1328999265414073,holdout
+111993,LLDNAAADLTAISGQKPLITK,1.1329450519953377,holdout
+111994,LLDNAAADLTAISGQKPLITK,1.1563856504682677,holdout
+111995,LLDNAAADLTAISGQKPLITK,1.1406851550000123,holdout
+111996,LLDNAAADLTAISGQKPLITK,1.180250206199755,holdout
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+111998,LLDNAAADLTAISGQKPLITK,1.1491064809008664,holdout
+111999,LLDNAAADLTAISGQKPLITK,1.1642303722529663,holdout
+112000,LLDNAAADLTAISGQKPLITK,1.0877421380369796,holdout
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diff --git a/data/data_ISA/isa_data_augmented_01.csv b/data/data_ISA/isa_data_augmented_01.csv
new file mode 100644
index 0000000..eb4a356
--- /dev/null
+++ b/data/data_ISA/isa_data_augmented_01.csv
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+114230,IAAANVPAFVSGK,0.3747798000762774,holdout
+114231,IAAANVPAFVSGK,0.4223703171409134,holdout
+114232,IAAANVPAFVSGK,0.38080375695615,holdout
+114233,IAAANVPAFVSGK,0.3615154197978487,holdout
+114234,IAAANVPAFVSGK,0.3615919752536833,holdout
+114235,IAAANVPAFVSGK,0.4166455019984187,holdout
+114236,IAAANVPAFVSGK,0.3746692243844727,holdout
+114237,IAAANVPAFVSGK,0.401367565720272,holdout
+114238,IAAANVPAFVSGK,0.4200164309872631,holdout
+114239,IAAANVPAFVSGK,0.4035604763780456,holdout
+114240,IAAANVPAFVSGK,0.3745217318248488,holdout
+114241,IAAANVPAFVSGK,0.3871458226218318,holdout
+114242,IAAANVPAFVSGK,0.3680792659266267,holdout
+114243,IAAANVPAFVSGK,0.4337801146565558,holdout
+114244,IAAANVPAFVSGK,0.3810929561207397,holdout
+114245,IAAANVPAFVSGK,0.3929723697375902,holdout
+114246,IAAANVPAFVSGK,0.405754202678497,holdout
+114247,IAAANVPAFVSGK,0.3984452990054379,holdout
+114248,IAAANVPAFVSGK,0.3748534963786887,holdout
+114249,IAAANVPAFVSGK,0.4181078809618967,holdout
+114250,IAAANVPAFVSGK,0.4462601900487613,holdout
+114251,IAAANVPAFVSGK,0.433451162001591,holdout
+114252,IAAANVPAFVSGK,0.44608406474386,holdout
+114253,IAAANVPAFVSGK,0.4267075437221694,holdout
+114254,IAAANVPAFVSGK,0.4335242905535845,holdout
+114255,IAAANVPAFVSGK,0.4269100137365327,holdout
+114256,IAAANVPAFVSGK,0.4459783466450044,holdout
+114257,IAAANVPAFVSGK,0.4583236913126667,holdout
+114258,IAAANVPAFVSGK,0.4399339621335931,holdout
+114259,IAAANVPAFVSGK,0.4512573009424891,holdout
+114260,IAAANVPAFVSGK,0.4650833721737761,holdout
+114261,IAAANVPAFVSGK,0.451319098101381,holdout
+114262,IAAANVPAFVSGK,0.4397904457457828,holdout
+114263,IAAANVPAFVSGK,0.4511955148477145,holdout
+114264,VFMQPASEGTGIIAGGAMR,0.7994139716869246,holdout
+114265,VFMQPASEGTGIIAGGAMR,0.7643100405171874,holdout
+114266,VFMQPASEGTGIIAGGAMR,0.7712713065559611,holdout
+114267,VFMQPASEGTGIIAGGAMR,0.7921884985308276,holdout
+114268,VFMQPASEGTGIIAGGAMR,0.7994639148514153,holdout
+114269,VFMQPASEGTGIIAGGAMR,0.8080826383404505,holdout
+114270,VFMQPASEGTGIIAGGAMR,0.8165588885864254,holdout
+114271,VFMQPASEGTGIIAGGAMR,0.7995637874459187,holdout
+114272,VFMQPASEGTGIIAGGAMR,0.7923904990910788,holdout
+114273,VFMQPASEGTGIIAGGAMR,0.7710710160939485,holdout
+114274,VFMQPASEGTGIIAGGAMR,0.778010058435028,holdout
+114275,VFMQPASEGTGIIAGGAMR,0.764469867990607,holdout
+114276,VFMQPASEGTGIIAGGAMR,0.785129262600115,holdout
+114277,VFMQPASEGTGIIAGGAMR,0.7711911885408576,holdout
+114278,VFMQPASEGTGIIAGGAMR,0.7643100405171874,holdout
+114279,VFMQPASEGTGIIAGGAMR,0.7781707209079753,holdout
+114280,VFMQPASEGTGIIAGGAMR,0.7644299102456467,holdout
+114281,VFMQPASEGTGIIAGGAMR,0.757565782348355,holdout
+114282,VFMQPASEGTGIIAGGAMR,0.7782108881183909,holdout
+114283,VFMQPASEGTGIIAGGAMR,0.7351712793408072,holdout
+114284,VFMQPASEGTGIIAGGAMR,0.7780903883980721,holdout
+114285,VFMQPASEGTGIIAGGAMR,0.7574462094657108,holdout
+114286,VFMQPASEGTGIIAGGAMR,0.7781305543345876,holdout
+114287,VFMQPASEGTGIIAGGAMR,0.8079843881496847,holdout
+114288,VFMQPASEGTGIIAGGAMR,0.7851695424076084,holdout
+114289,VFMQPASEGTGIIAGGAMR,0.8164139193976325,holdout
+114290,VFMQPASEGTGIIAGGAMR,0.7713914881574273,holdout
+114291,VFMQPASEGTGIIAGGAMR,0.7711911885408576,holdout
+114292,VFMQPASEGTGIIAGGAMR,0.7782912244509368,holdout
+114293,VFMQPASEGTGIIAGGAMR,0.7574860665265692,holdout
+114294,VFMQPASEGTGIIAGGAMR,0.7923500975889475,holdout
+114295,VFMQPASEGTGIIAGGAMR,0.7922692966701574,holdout
+114296,VFMQPASEGTGIIAGGAMR,0.7503605815407797,holdout
+114297,VFMQPASEGTGIIAGGAMR,0.7713113664791234,holdout
+114298,VFMQPASEGTGIIAGGAMR,0.7852903858200899,holdout
+114299,VFMQPASEGTGIIAGGAMR,0.7922692966701574,holdout
+114300,VFMQPASEGTGIIAGGAMR,0.7923500975889475,holdout
+114301,VFMQPASEGTGIIAGGAMR,0.7348270967367743,holdout
+114302,VFMQPASEGTGIIAGGAMR,0.7432923107265825,holdout
+114303,VFMQPASEGTGIIAGGAMR,0.7783313935733793,holdout
+114304,VFMQPASEGTGIIAGGAMR,0.7853709514217275,holdout
+114305,VFMQPASEGTGIIAGGAMR,0.718112275366928,holdout
+114306,VFMQPASEGTGIIAGGAMR,0.7178589450347408,holdout
+114307,VFMQPASEGTGIIAGGAMR,0.7924309012886113,holdout
+114308,VFMQPASEGTGIIAGGAMR,0.7644299102456467,holdout
+114309,VFMQPASEGTGIIAGGAMR,0.7268554996415113,holdout
+114310,VFMQPASEGTGIIAGGAMR,0.7179602915578385,holdout
+114311,VFMQPASEGTGIIAGGAMR,0.7923096967820316,holdout
+114312,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+114313,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+114314,VFMQPASEGTGIIAGGAMR,0.7714315499128732,holdout
+114315,VFMQPASEGTGIIAGGAMR,0.8083772751074596,holdout
+114316,VFMQPASEGTGIIAGGAMR,0.7266061716295154,holdout
+114317,VFMQPASEGTGIIAGGAMR,0.7430845574901275,holdout
+114318,VFMQPASEGTGIIAGGAMR,0.7346795305558742,holdout
+114319,VFMQPASEGTGIIAGGAMR,0.7569679688977544,holdout
+114320,VFMQPASEGTGIIAGGAMR,0.7570078191666441,holdout
+114321,VFMQPASEGTGIIAGGAMR,0.7708707408742574,holdout
+114322,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+114323,VFMQPASEGTGIIAGGAMR,0.7853306682881356,holdout
+114324,VFMQPASEGTGIIAGGAMR,0.7990142619789284,holdout
+114325,VFMQPASEGTGIIAGGAMR,0.7640703168255767,holdout
+114326,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+114327,VFMQPASEGTGIIAGGAMR,0.770910794699724,holdout
+114328,VFMQPASEGTGIIAGGAMR,0.7500425384865981,holdout
+114329,VFMQPASEGTGIIAGGAMR,0.7854112352210314,holdout
+114330,VFMQPASEGTGIIAGGAMR,0.7919865153333228,holdout
+114331,VFMQPASEGTGIIAGGAMR,0.7992141533211505,holdout
+114332,VFMQPASEGTGIIAGGAMR,0.7638705631204483,holdout
+114333,VFMQPASEGTGIIAGGAMR,0.7779698944081921,holdout
+114334,VFMQPASEGTGIIAGGAMR,0.7573664970435661,holdout
+114335,VFMQPASEGTGIIAGGAMR,0.7639504628542686,holdout
+114336,VFMQPASEGTGIIAGGAMR,0.7917037679840924,holdout
+114337,VFMQPASEGTGIIAGGAMR,0.7848875977086824,holdout
+114338,VFMQPASEGTGIIAGGAMR,0.7778895682630917,holdout
+114339,VFMQPASEGTGIIAGGAMR,0.7505593762534284,holdout
+114340,VFMQPASEGTGIIAGGAMR,0.7778092446617202,holdout
+114341,VFMQPASEGTGIIAGGAMR,0.778010058435028,holdout
+114342,VFMQPASEGTGIIAGGAMR,0.7708707408742574,holdout
+114343,VFMQPASEGTGIIAGGAMR,0.7782510559659928,holdout
+114344,VFMQPASEGTGIIAGGAMR,0.7641502223885901,holdout
+114345,VFMQPASEGTGIIAGGAMR,0.7922288972531524,holdout
+114346,VFMQPASEGTGIIAGGAMR,0.7500822919525523,holdout
+114347,VFMQPASEGTGIIAGGAMR,0.7432526492021809,holdout
+114348,VFMQPASEGTGIIAGGAMR,0.7847265010581017,holdout
+114349,VFMQPASEGTGIIAGGAMR,0.7920269105848678,holdout
+114350,VFMQPASEGTGIIAGGAMR,0.7849278735302745,holdout
+114351,VFMQPASEGTGIIAGGAMR,0.7848875977086824,holdout
+114352,VFMQPASEGTGIIAGGAMR,0.7264066301094649,holdout
+114353,VFMQPASEGTGIIAGGAMR,0.7501618005260524,holdout
+114354,VFMQPASEGTGIIAGGAMR,0.7571273733663495,holdout
+114355,VFMQPASEGTGIIAGGAMR,0.7778494061445169,holdout
+114356,VFMQPASEGTGIIAGGAMR,0.7641502223885901,holdout
+114357,VFMQPASEGTGIIAGGAMR,0.7641102693154354,holdout
+114358,VFMQPASEGTGIIAGGAMR,0.7502810674918958,holdout
+114359,VFMQPASEGTGIIAGGAMR,0.7994639148514153,holdout
+114360,VFMQPASEGTGIIAGGAMR,0.7432923107265825,holdout
+114361,VFMQPASEGTGIIAGGAMR,0.7432526492021809,holdout
+114362,VFMQPASEGTGIIAGGAMR,0.7711911885408576,holdout
+114363,VFMQPASEGTGIIAGGAMR,0.7779698944081921,holdout
+114364,VFMQPASEGTGIIAGGAMR,0.7575259241540824,holdout
+114365,VFMQPASEGTGIIAGGAMR,0.8470377246762366,holdout
+114366,VFMQPASEGTGIIAGGAMR,0.8467957392588792,holdout
+114367,VFMQPASEGTGIIAGGAMR,0.8398315687351943,holdout
+114368,VFMQPASEGTGIIAGGAMR,0.8396706563654162,holdout
+114369,VFMQPASEGTGIIAGGAMR,0.8536522579084829,holdout
+114370,VFMQPASEGTGIIAGGAMR,0.8398315687351943,holdout
+114371,VFMQPASEGTGIIAGGAMR,0.8399120268845057,holdout
+114372,VFMQPASEGTGIIAGGAMR,0.8538137328377635,holdout
+114373,VFMQPASEGTGIIAGGAMR,0.860967442610864,holdout
+114374,VFMQPASEGTGIIAGGAMR,0.839710883967753,holdout
+114375,VFMQPASEGTGIIAGGAMR,0.846755409549961,holdout
+114376,VFMQPASEGTGIIAGGAMR,0.8537733633658391,holdout
+114377,ILDSKPAVLALNIQR,0.6928875523670532,holdout
+114378,ILDSKPAVLALNIQR,0.6510555782430405,holdout
+114379,ILDSKPAVLALNIQR,0.6572107484090157,holdout
+114380,ILDSKPAVLALNIQR,0.6571721034439384,holdout
+114381,ILDSKPAVLALNIQR,0.6640001320949431,holdout
+114382,ELDPMLKK,-0.7762644201034341,holdout
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+114384,ELDPMLKK,-0.8497421562170326,holdout
+114385,ELDPMLKK,-0.8042108736648923,holdout
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+114388,ELDPMLKK,-0.8128024200148802,holdout
+114389,ELDPMLKK,-0.6831915740126759,holdout
+114390,YIELPDAYK,0.3910287848173448,holdout
+114391,YIELPDAYK,0.4263025433238638,holdout
+114392,YIELPDAYK,0.391190698790183,holdout
+114393,YIELPDAYK,0.4120941298165816,holdout
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+114395,YIELPDAYK,0.3980395962984739,holdout
+114396,YIELPDAYK,0.3839550135936509,holdout
+114397,YIELPDAYK,0.3672888754747254,holdout
+114398,YIELPDAYK,0.3802607964222284,holdout
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+114400,YIELPDAYK,0.3803694629095702,holdout
+114401,YIELPDAYK,0.3740419209704266,holdout
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+114403,YIELPDAYK,0.3840357403881289,holdout
+114404,YIELPDAYK,0.3482775176479218,holdout
+114405,YIELPDAYK,0.3675525375871848,holdout
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+114410,YIELPDAYK,0.3739680414891904,holdout
+114411,YIELPDAYK,0.390988307816694,holdout
+114412,YIELPDAYK,0.38411646999685,holdout
+114413,YIELPDAYK,0.3839550135936509,holdout
+114414,YIELPDAYK,0.3840357403881289,holdout
+114415,YIELPDAYK,0.3549431268317491,holdout
+114416,YIELPDAYK,0.3676278331711189,holdout
+114417,YIELPDAYK,0.3804418865632417,holdout
+114418,YIELPDAYK,0.3981613025112458,holdout
+114419,YIELPDAYK,0.391190698790183,holdout
+114420,YIELPDAYK,0.3273428178828421,holdout
+114421,YIELPDAYK,0.3343845199877573,holdout
+114422,YIELPDAYK,0.3413549797061521,holdout
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+114424,YIELPDAYK,0.3344650787616476,holdout
+114425,YIELPDAYK,0.3550977787837204,holdout
+114426,YIELPDAYK,0.3611324113184362,holdout
+114427,YIELPDAYK,0.3412354963918664,holdout
+114428,YIELPDAYK,0.3911502194029328,holdout
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+114432,YIELPDAYK,0.3740788544698472,holdout
+114433,YIELPDAYK,0.4123379914832941,holdout
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+114438,YIELPDAYK,0.3858207529538755,holdout
+114439,YIELPDAYK,0.3980801645948419,holdout
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+114444,YIELPDAYK,0.3981207333327865,holdout
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+114446,YIELPDAYK,0.4120534860289893,holdout
+114447,YIELPDAYK,0.4118909104399084,holdout
+114448,YIELPDAYK,0.3860024935607362,holdout
+114449,YIELPDAYK,0.3907454584074843,holdout
+114450,YIELPDAYK,0.3802607964222284,holdout
+114451,YIELPDAYK,0.3737463032057015,holdout
+114452,AQNAQVAAGQLGGTPPVK,-0.3944460388201181,holdout
+114453,AQNAQVAAGQLGGTPPVK,-0.4107816877663302,holdout
+114454,AQNAQVAAGQLGGTPPVK,-0.433184392499538,holdout
+114455,AQNAQVAAGQLGGTPPVK,-0.4254890611705733,holdout
+114456,AQNAQVAAGQLGGTPPVK,-0.418032978189363,holdout
+114457,AQNAQVAAGQLGGTPPVK,-0.4106975303043083,holdout
+114458,AQNAQVAAGQLGGTPPVK,-0.3943500472747865,holdout
+114459,AQNAQVAAGQLGGTPPVK,-0.4409394346262951,holdout
+114460,AQNAQVAAGQLGGTPPVK,-0.433184392499538,holdout
+114461,AQNAQVAAGQLGGTPPVK,-0.448829496769398,holdout
+114462,AQNAQVAAGQLGGTPPVK,-0.4409394346262951,holdout
+114463,AQNAQVAAGQLGGTPPVK,-0.433184392499538,holdout
+114464,AQNAQVAAGQLGGTPPVK,-0.4254446196021573,holdout
+114465,AQNAQVAAGQLGGTPPVK,-0.4333624917159446,holdout
+114466,MQQLQNVIESAFER,1.7575949438547984,holdout
+114467,MQQLQNVIESAFER,1.7735479636567797,holdout
+114468,MQQLQNVIESAFER,1.781500194584564,holdout
+114469,LGVLGFDVDHER,0.6735763487288655,holdout
+114470,LGVLGFDVDHER,0.6643520362854676,holdout
+114471,LGVLGFDVDHER,0.6735763487288655,holdout
+114472,LGVLGFDVDHER,0.6833036598314091,holdout
+114473,LGVLGFDVDHER,0.6673691745633215,holdout
+114474,LGVLGFDVDHER,0.6769045041420241,holdout
+114475,MNIDTDTQWATWEGVLNYYK,2.0791612819417096,holdout
+114476,MNIDTDTQWATWEGVLNYYK,2.072393218456843,holdout
+114477,ELPELTEEFIK,1.2778140759484344,holdout
+114478,ELPELTEEFIK,1.2997611079197111,holdout
+114479,ELPELTEEFIK,1.278025290013753,holdout
+114480,ELPELTEEFIK,1.292585793748788,holdout
+114481,ELPELTEEFIK,1.2849596410333517,holdout
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+114483,ELPELTEEFIK,1.2998036099640378,holdout
+114484,ELPELTEEFIK,1.2408515603452583,holdout
+114485,ELPELTEEFIK,1.3001011390248671,holdout
+114486,ELPELTEEFIK,1.2633077670110118,holdout
+114487,ELPELTEEFIK,1.2633919778276428,holdout
+114488,ELPELTEEFIK,1.248628174399157,holdout
+114489,ELPELTEEFIK,1.2634340837193925,holdout
+114490,ELPELTEEFIK,1.2706393556717073,holdout
+114491,ELPELTEEFIK,1.2926706216924138,holdout
+114492,ELPELTEEFIK,1.3001011390248671,holdout
+114493,ELPELTEEFIK,1.3224037515235765,holdout
+114494,ELPELTEEFIK,1.27819426951727,holdout
+114495,ELPELTEEFIK,1.2852135835132734,holdout
+114496,ELPELTEEFIK,1.2552708778989667,holdout
+114497,ELPELTEEFIK,1.2553129326724033,holdout
+114498,ELPELTEEFIK,1.2846633972758237,holdout
+114499,ELPELTEEFIK,1.2846633972758237,holdout
+114500,ELPELTEEFIK,1.3371504749011711,holdout
+114501,ELPELTEEFIK,1.284874997492922,holdout
+114502,ELPELTEEFIK,1.2772227372601974,holdout
+114503,ELPELTEEFIK,1.2846633972758237,holdout
+114504,ELPELTEEFIK,1.2698803896302904,holdout
+114505,ELPELTEEFIK,1.2705128523549822,holdout
+114506,ELPELTEEFIK,1.306951444929882,holdout
+114507,ELPELTEEFIK,1.3143275642122365,holdout
+114508,ELPELTEEFIK,1.2704706853843288,holdout
+114509,ELPELTEEFIK,1.2921192769980814,holdout
+114510,ELPELTEEFIK,1.2847057163331947,holdout
+114511,ELPELTEEFIK,1.248628174399157,holdout
+114512,ELPELTEEFIK,1.2923737329339549,holdout
+114513,ELPELTEEFIK,1.3068662639971689,holdout
+114514,ELPELTEEFIK,1.2629709365568105,holdout
+114515,ELPELTEEFIK,1.2555652655594765,holdout
+114516,EYSPLAVQK,-0.5560687783589415,holdout
+114517,EYSPLAVQK,-0.5338357781512935,holdout
+114518,EYSPLAVQK,-0.5562029413844733,holdout
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diff --git a/data/data_viz.py b/data/data_viz.py
index 10727e0..3dd9fa7 100644
--- a/data/data_viz.py
+++ b/data/data_viz.py
@@ -1,9 +1,11 @@
 import scipy as sp
+from networkx.algorithms.traversal import dfs_tree
 from sklearn.metrics import r2_score
 import matplotlib.pyplot as plt
 import numpy as np
 import random
 import pandas as pd
+from constant import ALPHABET_UNMOD_REV
 import matplotlib.colors as mcolors
 
 
@@ -133,24 +135,32 @@ def compare_error(df1, df2, display=False, save=False, path=None):
     if save:
         plt.savefig(path)
 
-def select_best_data(df1,df2,threshold):
-    df1['abs err 1'] = abs(df1['rt pred'] - df1['true rt'])
-    df2['abs err 2'] = abs(df2['rt pred'] - df2['true rt'])
-    df_group_1 = df1.groupby(['seq'])['abs err 1'].mean().to_frame().reset_index()
-    df_group_2 = df2.groupby(['seq'])['abs err 2'].mean().to_frame().reset_index()
-    df = pd.concat([df_group_1, df_group_2], axis=1)
-    df['mean']=(df['abs err 1']+df['abs err 2'])/2
+def select_best_data(df_list,threshold):
+    num = len(df_list)
+    l=[]
+    i=0
+    for df in df_list :
+        df['abs err {}'.format(i)] = abs(df['rt pred'] - df['true rt'])
+        df_group = df.groupby(['seq'])['abs err {}'.format(i)].mean().to_frame().reset_index()
+        l.append(df_group)
+        i += 1
+    df = pd.concat(l, axis=1)
+    df['mean'] = df['abs err 0']
+    for i in range(1,num):
+        df['mean']=df['mean']+df['abs err {}'.format(i)]
+    df['mean'] = df['mean']/num
     df_res = df[df['mean']<threshold]
-    df_res = df_res['seq']
-    df_res.columns = ['seq','temp']
-    df_res = df_res['seq']
+    c_name=['seq{}'.format(i) for i in range(num)]+['mean']
+    df_res = df_res[['seq','mean']]
+    df_res.columns = c_name
+    df_res = df_res[['seq0']]
     good_seq=[]
     good_rt=[]
-    for r in df1.iterrows() :
+    for r in df_list[0].iterrows() :
         if r[1]['seq'] in df_res.values :
             good_rt.append(r[1]['true rt'])
             good_seq.append(r[1]['seq'])
-    return pd.DataFrame({'Sequence' : good_seq, 'Retention time': good_rt})
+    return pd.DataFrame({'sequence' : good_seq, 'irt_scaled': good_rt})
 
 
 
@@ -163,24 +173,87 @@ def add_length(dataframe):
         return np.count_nonzero(np.array(a))
     dataframe['length']=dataframe['seq'].map(fonc)
 
+def numerical_to_alphabetical_str(s):
+    seq = ''
+    s = s.replace('[','')
+    s = s.replace(']', '')
+    arr = s.split(',')
+    arr = list(map(int, arr))
+    for i in range(len(arr)):
+        seq+=ALPHABET_UNMOD_REV[arr[i]]
+    return seq
 
 if __name__ == '__main__' :
 
-    for f_suffix_name in ['ISA_noc_ISA_noc','prosit_ISA_noc', 'ISA_noc_prosit', 'prosit_prosit']:
-        for number in ['1','2','3','4']:
-            df = pd.read_csv('../output/out_{}_{}.csv'.format(f_suffix_name,number))
-            add_length(df)
-            df['abs_error'] =  np.abs(df['rt pred']-df['true rt'])
-            histo_abs_error(df, display=False, save=True, path='../fig/model perf/histo_{}_{}.png'.format(f_suffix_name,number))
-            scatter_rt(df, display=False, save=True, path='../fig/model perf/RT_pred_{}_{}.png'.format(f_suffix_name,number), color=True)
-            histo_length_by_error(df, bins=10, display=False, save=True, path='../fig/model perf/histo_length_{}_{}.png'.format(f_suffix_name,number))
+    # for f_suffix_name in ['ISA_noc_ISA_noc','prosit_ISA_noc', 'ISA_noc_prosit', 'prosit_prosit']:
+    #     for number in ['1','2','3','4']:
+    #         df = pd.read_csv('../output/out_{}_{}.csv'.format(f_suffix_name,number))
+    #         add_length(df)
+    #         df['abs_error'] =  np.abs(df['rt pred']-df['true rt'])
+    #         histo_abs_error(df, display=False, save=True, path='../fig/model perf/histo_{}_{}.png'.format(f_suffix_name,number))
+    #         scatter_rt(df, display=False, save=True, path='../fig/model perf/RT_pred_{}_{}.png'.format(f_suffix_name,number), color=True)
+    #         histo_length_by_error(df, bins=10, display=False, save=True, path='../fig/model perf/histo_length_{}_{}.png'.format(f_suffix_name,number))
 
     ## Compare error variation between run
     ## Prosit column changes affect some peptides more than others (but consistently)
-    df_1 = pd.read_csv('../output/out_ISA_noc_prosit.csv')
+
+    df_base = pd.read_csv('data_ISA/data_aligned_isa_noc.csv')
+    df_base = df_base[['sequence', 'irt_scaled','state']]
+    #
+    # df_1 = pd.read_csv('../output/out_ISA_noc_prosit_1.csv')
+    # df_2 = pd.read_csv('../output/out_ISA_noc_prosit_2.csv')
+    # df_3 = pd.read_csv('../output/out_ISA_noc_prosit_3.csv')
+    # df_4 = pd.read_csv('../output/out_ISA_noc_prosit_4.csv')
+    #
+    # list_df = [df_1,df_2,df_3,df_4]
+    # df = select_best_data(list_df, 0.05)
+    # df.to_pickle('data_ISA/data_ISA_additionnal_005.pkl')
+    # df = pd.read_pickle('data_ISA/data_ISA_additionnal_005.pkl')
+    # df['state'] = 'train'
+    # df['sequence'] = df['sequence'].map(numerical_to_alphabetical_str)
+    # df_augmented_1 = pd.concat([df, df_base], axis=0).reset_index(drop=True)
+    # df_augmented_1.columns = ['sequence', 'irt_scaled','state']
+    #
+    # df_augmented_1.to_csv('data_ISA/isa_data_augmented_005.csv')
+
+    #
+    # df_1 = pd.read_csv('../output/out_ISA_noc_prosit_1.csv')
+    # df_2 = pd.read_csv('../output/out_ISA_noc_prosit_2.csv')
+    # df_3 = pd.read_csv('../output/out_ISA_noc_prosit_3.csv')
+    # df_4 = pd.read_csv('../output/out_ISA_noc_prosit_4.csv')
+    #
+    # list_df = [df_1, df_2, df_3, df_4]
+    # df = select_best_data(list_df, 0.1)
+    # df.to_pickle('data_ISA/data_ISA_additionnal_01.pkl')
+    #
+    # df = pd.read_pickle('data_ISA/data_ISA_additionnal_01.pkl')
+    # df['state'] = 'train'
+    # df['sequence'] = df['sequence'].map(numerical_to_alphabetical_str)
+    # df_augmented_1 = pd.concat([df, df_base], axis=0).reset_index(drop=True)
+    # df_augmented_1.columns = ['sequence', 'irt_scaled','state']
+    #
+    # df_augmented_1.to_csv('data_ISA/isa_data_augmented_01.csv')
+    #
+    df_1 = pd.read_csv('../output/out_ISA_noc_prosit_1.csv')
     df_2 = pd.read_csv('../output/out_ISA_noc_prosit_2.csv')
+    df_3 = pd.read_csv('../output/out_ISA_noc_prosit_3.csv')
+    df_4 = pd.read_csv('../output/out_ISA_noc_prosit_4.csv')
+
+    list_df = [df_1, df_2, df_3, df_4]
+    df = select_best_data(list_df, 0.2)
+    df.to_pickle('data_ISA/data_ISA_additionnal_02.pkl')
+
+    df = pd.read_pickle('data_ISA/data_ISA_additionnal_02.pkl')
+    df['state'] = 'train'
+    df['sequence'] = df['sequence'].map(numerical_to_alphabetical_str)
+    df_augmented_1 = pd.concat([df, df_base], axis=0).reset_index(drop=True)
+    df_augmented_1.columns = ['sequence', 'irt_scaled','state']
+
+    df_augmented_1.to_csv('data_ISA/isa_data_augmented_02.csv')
+
+
+
+
+    # compare_error(df_1,df_2,save=True,path='../fig/model perf/ISA_prosit_error_variation.png')
 
-    # df = select_best_data(df_1, df_2, 7)
-    # df.to_pickle('database/data_prosit_threshold_7.pkl')
-    compare_error(df_1,df_2,save=True,path='../fig/model perf/ISA_prosit_error_variation.png')
 
-- 
GitLab