{
  "_name_or_path": "/data/users/mrdupont/emtrl/models/pretrained_cluster/mlm-bert-30",
  "architectures": [
    "BertForRegression"
  ],
  "attention_probs_dropout_prob": 0.1,
  "classifier_dropout": null,
  "hidden_act": "gelu",
  "hidden_dropout_prob": 0.1,
  "hidden_size": 768,
  "id2label": {
    "0": "MaxAbsEStateIndex",
    "1": "MaxEStateIndex",
    "2": "MinAbsEStateIndex",
    "3": "MinEStateIndex",
    "4": "qed",
    "5": "SPS",
    "6": "MolWt",
    "7": "HeavyAtomMolWt",
    "8": "ExactMolWt",
    "9": "NumValenceElectrons",
    "10": "NumRadicalElectrons",
    "11": "MaxPartialCharge",
    "12": "MinPartialCharge",
    "13": "MaxAbsPartialCharge",
    "14": "MinAbsPartialCharge",
    "15": "FpDensityMorgan1",
    "16": "FpDensityMorgan2",
    "17": "FpDensityMorgan3",
    "18": "BCUT2D_MWHI",
    "19": "BCUT2D_MWLOW",
    "20": "BCUT2D_CHGHI",
    "21": "BCUT2D_CHGLO",
    "22": "BCUT2D_LOGPHI",
    "23": "BCUT2D_LOGPLOW",
    "24": "BCUT2D_MRHI",
    "25": "BCUT2D_MRLOW",
    "26": "AvgIpc",
    "27": "BalabanJ",
    "28": "BertzCT",
    "29": "Chi0",
    "30": "Chi0n",
    "31": "Chi0v",
    "32": "Chi1",
    "33": "Chi1n",
    "34": "Chi1v",
    "35": "Chi2n",
    "36": "Chi2v",
    "37": "Chi3n",
    "38": "Chi3v",
    "39": "Chi4n",
    "40": "Chi4v",
    "41": "HallKierAlpha",
    "42": "Kappa1",
    "43": "Kappa2",
    "44": "Kappa3",
    "45": "LabuteASA",
    "46": "PEOE_VSA1",
    "47": "PEOE_VSA10",
    "48": "PEOE_VSA11",
    "49": "PEOE_VSA12",
    "50": "PEOE_VSA13",
    "51": "PEOE_VSA14",
    "52": "PEOE_VSA2",
    "53": "PEOE_VSA3",
    "54": "PEOE_VSA4",
    "55": "PEOE_VSA5",
    "56": "PEOE_VSA6",
    "57": "PEOE_VSA7",
    "58": "PEOE_VSA8",
    "59": "PEOE_VSA9",
    "60": "SMR_VSA1",
    "61": "SMR_VSA10",
    "62": "SMR_VSA2",
    "63": "SMR_VSA3",
    "64": "SMR_VSA4",
    "65": "SMR_VSA5",
    "66": "SMR_VSA6",
    "67": "SMR_VSA7",
    "68": "SMR_VSA8",
    "69": "SMR_VSA9",
    "70": "SlogP_VSA1",
    "71": "SlogP_VSA10",
    "72": "SlogP_VSA11",
    "73": "SlogP_VSA12",
    "74": "SlogP_VSA2",
    "75": "SlogP_VSA3",
    "76": "SlogP_VSA4",
    "77": "SlogP_VSA5",
    "78": "SlogP_VSA6",
    "79": "SlogP_VSA7",
    "80": "SlogP_VSA8",
    "81": "SlogP_VSA9",
    "82": "TPSA",
    "83": "EState_VSA1",
    "84": "EState_VSA10",
    "85": "EState_VSA11",
    "86": "EState_VSA2",
    "87": "EState_VSA3",
    "88": "EState_VSA4",
    "89": "EState_VSA5",
    "90": "EState_VSA6",
    "91": "EState_VSA7",
    "92": "EState_VSA8",
    "93": "EState_VSA9",
    "94": "VSA_EState1",
    "95": "VSA_EState10",
    "96": "VSA_EState2",
    "97": "VSA_EState3",
    "98": "VSA_EState4",
    "99": "VSA_EState5",
    "100": "VSA_EState6",
    "101": "VSA_EState7",
    "102": "VSA_EState8",
    "103": "VSA_EState9",
    "104": "FractionCSP3",
    "105": "HeavyAtomCount",
    "106": "NHOHCount",
    "107": "NOCount",
    "108": "NumAliphaticCarbocycles",
    "109": "NumAliphaticHeterocycles",
    "110": "NumAliphaticRings",
    "111": "NumAromaticCarbocycles",
    "112": "NumAromaticHeterocycles",
    "113": "NumAromaticRings",
    "114": "NumHAcceptors",
    "115": "NumHDonors",
    "116": "NumHeteroatoms",
    "117": "NumRotatableBonds",
    "118": "NumSaturatedCarbocycles",
    "119": "NumSaturatedHeterocycles",
    "120": "NumSaturatedRings",
    "121": "RingCount",
    "122": "MolLogP",
    "123": "MolMR",
    "124": "fr_Al_COO",
    "125": "fr_Al_OH",
    "126": "fr_Al_OH_noTert",
    "127": "fr_ArN",
    "128": "fr_Ar_COO",
    "129": "fr_Ar_N",
    "130": "fr_Ar_NH",
    "131": "fr_Ar_OH",
    "132": "fr_COO",
    "133": "fr_COO2",
    "134": "fr_C_O",
    "135": "fr_C_O_noCOO",
    "136": "fr_C_S",
    "137": "fr_HOCCN",
    "138": "fr_Imine",
    "139": "fr_NH0",
    "140": "fr_NH1",
    "141": "fr_NH2",
    "142": "fr_N_O",
    "143": "fr_Ndealkylation1",
    "144": "fr_Ndealkylation2",
    "145": "fr_Nhpyrrole",
    "146": "fr_SH",
    "147": "fr_aldehyde",
    "148": "fr_alkyl_carbamate",
    "149": "fr_alkyl_halide",
    "150": "fr_allylic_oxid",
    "151": "fr_amide",
    "152": "fr_amidine",
    "153": "fr_aniline",
    "154": "fr_aryl_methyl",
    "155": "fr_azide",
    "156": "fr_azo",
    "157": "fr_barbitur",
    "158": "fr_benzene",
    "159": "fr_benzodiazepine",
    "160": "fr_bicyclic",
    "161": "fr_diazo",
    "162": "fr_dihydropyridine",
    "163": "fr_epoxide",
    "164": "fr_ester",
    "165": "fr_ether",
    "166": "fr_furan",
    "167": "fr_guanido",
    "168": "fr_halogen",
    "169": "fr_hdrzine",
    "170": "fr_hdrzone",
    "171": "fr_imidazole",
    "172": "fr_imide",
    "173": "fr_isocyan",
    "174": "fr_isothiocyan",
    "175": "fr_ketone",
    "176": "fr_ketone_Topliss",
    "177": "fr_lactam",
    "178": "fr_lactone",
    "179": "fr_methoxy",
    "180": "fr_morpholine",
    "181": "fr_nitrile",
    "182": "fr_nitro",
    "183": "fr_nitro_arom",
    "184": "fr_nitro_arom_nonortho",
    "185": "fr_nitroso",
    "186": "fr_oxazole",
    "187": "fr_oxime",
    "188": "fr_para_hydroxylation",
    "189": "fr_phenol",
    "190": "fr_phenol_noOrthoHbond",
    "191": "fr_phos_acid",
    "192": "fr_phos_ester",
    "193": "fr_piperdine",
    "194": "fr_piperzine",
    "195": "fr_priamide",
    "196": "fr_prisulfonamd",
    "197": "fr_pyridine",
    "198": "fr_quatN",
    "199": "fr_sulfide",
    "200": "fr_sulfonamd",
    "201": "fr_sulfone",
    "202": "fr_term_acetylene",
    "203": "fr_tetrazole",
    "204": "fr_thiazole",
    "205": "fr_thiocyan",
    "206": "fr_thiophene",
    "207": "fr_unbrch_alkane",
    "208": "fr_urea",
    "209": "SPS"
  },
  "initializer_range": 0.02,
  "intermediate_size": 3072,
  "label2id": {},
  "layer_norm_eps": 1e-12,
  "max_position_embeddings": 128,
  "model_type": "bert",
  "norm_mean": [
    11.771668218009417,
    11.771668218009417,
    0.15884609080655193,
    -1.0325221125565733,
    0.5817640312226601,
    14.611460540517033,
    402.31206863301213,
    379.87935167328436,
    401.85108513052654,
    148.45604083947816,
    0.0,
    0.26343771404496247,
    -0.421453916798654,
    0.4251822235079804,
    0.2597094073356366,
    1.0814346170093896,
    1.8133711536698462,
    2.497277917465151,
    26.786514192278897,
    10.063145192207957,
    2.2263201036308464,
    -2.220708644503963,
    2.2989211330318446,
    -2.300697603925523,
    6.6189092659717135,
    0.08705283879760171,
    2.961869228683886,
    1.6998346008733984,
    1016.0209597210377,
    20.190528965127328,
    16.002114214034346,
    16.5641387538716,
    13.768266568755859,
    9.31855686245846,
    9.907702308915763,
    7.005766292592989,
    7.678772838197772,
    4.892969869947565,
    5.423590699453552,
    3.3867941970486632,
    3.793240275851014,
    -2.929427112875785,
    19.40295701086514,
    8.253899173351956,
    4.339069798200865,
    168.46371973239096,
    15.04648999289596,
    11.09450387969509,
    4.656026109456472,
    4.194342145721154,
    2.7284693548847367,
    1.9873897772250098,
    6.834767316341326,
    8.317680100915176,
    2.5719092596913375,
    2.1236250484247443,
    22.76775727867329,
    41.11096999025067,
    27.86643131746877,
    17.200640251846554,
    13.656042496566062,
    26.1511145090004,
    0.37399759325235055,
    13.471870818936736,
    2.2408982808037727,
    22.829679565795214,
    22.419127788763085,
    58.8987722979781,
    0.0,
    8.459498472394781,
    10.436969788180138,
    9.280102783330564,
    4.338211777806309,
    6.078675448103054,
    40.9079268928012,
    9.622569126560704,
    5.658383867851959,
    23.413346125582994,
    48.07347147153203,
    1.455379912528108,
    9.235964629212836,
    0.0,
    81.69926262053336,
    7.353337750879378,
    9.328503547495858,
    0.03237401906963849,
    13.054868931273818,
    24.081516073794678,
    24.857695341008807,
    12.26679366403201,
    20.075113935223314,
    25.314464992820543,
    21.937452641712255,
    10.198880926179514,
    15.379010756429926,
    2.143502856315952,
    19.79410234578363,
    8.036853511347514,
    3.193457808233284,
    0.5179919092777576,
    11.966918706003689,
    2.589580653264149,
    3.214796328560359,
    0.3507240546382028,
    0.2811807749545997,
    28.552467385138968,
    1.7169597277368123,
    6.503119682359614,
    0.1735677821894498,
    0.6545660805445264,
    0.8281338627339762,
    1.5621100397050482,
    1.3318207600680658,
    2.893930799773114,
    5.534316505955757,
    1.5326148610323314,
    7.577424844015882,
    5.559273964832672,
    0.15655133295519003,
    0.5467952353942144,
    0.7033465683494045,
    3.72206466250709,
    3.5643562280204204,
    109.71774815655112,
    0.04367555303460011,
    0.13783323879750425,
    0.11684628474191719,
    0.09132161089052751,
    0.03516732841747022,
    1.9364719228587635,
    0.17923993193420307,
    0.061259217243335225,
    0.07884288145207033,
    0.07884288145207033,
    0.9177538287010777,
    0.8389109472490074,
    0.0017016449234259785,
    0.016449234259784458,
    0.012478729438457176,
    2.6301758366420875,
    1.0561542824730572,
    0.18377765173000568,
    0.01758366420873511,
    0.11230856494611458,
    0.16676120249574589,
    0.17923993193420307,
    0.0005672149744753262,
    0.0017016449234259785,
    0.0045377197958026095,
    0.17300056721497448,
    0.024957458876914352,
    0.8111174134997164,
    0.011344299489506523,
    1.2240499149177537,
    0.370391378332388,
    0.0,
    0.0005672149744753262,
    0.0,
    1.5621100397050482,
    0.0028360748723766306,
    0.7833238797504254,
    0.0,
    0.0028360748723766306,
    0.0,
    0.025524673851389675,
    0.8825865002836075,
    0.014180374361883154,
    0.0022688598979013048,
    0.7073170731707317,
    0.0028360748723766306,
    0.0022688598979013048,
    0.10096426545660805,
    0.012478729438457176,
    0.0,
    0.0,
    0.05672149744753262,
    0.04424276800907544,
    0.0,
    0.0045377197958026095,
    0.30005672149744755,
    0.1406693136698809,
    0.06466250709018719,
    0.013045944412932501,
    0.012478729438457176,
    0.00737379466817924,
    0.0,
    0.010777084515031198,
    0.0017016449234259785,
    0.23085649461145774,
    0.0368689733408962,
    0.036301758366420876,
    0.0,
    0.0,
    0.1973908111174135,
    0.10153148043108338,
    0.05445263754963131,
    0.0,
    0.3142370958593307,
    0.0005672149744753262,
    0.04594441293250142,
    0.08735110606920023,
    0.07657402155416904,
    0.003403289846851957,
    0.011344299489506523,
    0.057855927396483264,
    0.0,
    0.07146908678389109,
    0.11117413499716393,
    0.05672149744753262,
    14.611460540517033
  ],
  "norm_std": [
    2.450468425836301,
    2.450468425836301,
    0.16758945561563698,
    1.4825711752022763,
    0.17871732669483978,
    4.628849730765954,
    98.62455549810862,
    91.89160786306692,
    98.52396971425917,
    38.18800956319649,
    0.0,
    0.07349582053015426,
    0.06985724219384587,
    0.06880208999760938,
    0.06589291353883113,
    0.16008801187021207,
    0.2199446481320137,
    0.2783792652683528,
    12.237757081268086,
    0.15325616447671006,
    0.12234807157878948,
    0.13274281647955422,
    0.08628291824898253,
    0.1837102694930588,
    0.9370085071620661,
    0.2931552649148845,
    0.3327198791559611,
    0.37418781454514505,
    299.00420125246694,
    4.971955970052363,
    4.250079603144081,
    4.2554880938864885,
    3.407984986424482,
    2.606947355481896,
    2.7358736999947686,
    2.1793300509413593,
    2.3976008888487663,
    1.6817703865730065,
    1.8415386126234958,
    1.2943884515471185,
    1.4157381857974418,
    0.8225627542135625,
    5.305872675116994,
    2.5594036806802682,
    1.6309341578413785,
    41.17615554895676,
    7.672291057088521,
    8.801731851879856,
    6.206609155029435,
    4.883289945811746,
    3.879326263756566,
    3.715219911526085,
    5.189039459502533,
    7.036336797251377,
    4.572448529710006,
    4.507984115160384,
    18.0097857291888,
    20.305633313947588,
    15.317866062376085,
    11.801575455528768,
    7.709556649716874,
    12.31748120847779,
    1.3769002130597174,
    7.7933469820587336,
    4.356766847070919,
    19.30670560395942,
    17.86903772953245,
    20.403990951078338,
    0.0,
    7.980519925665179,
    6.589481634956959,
    7.9230864963048715,
    6.33310416837678,
    8.658315600141584,
    21.45259447738505,
    7.9830225151685,
    7.030431180373793,
    17.77324783630384,
    18.042875523249858,
    2.84009699410454,
    8.831633977011855,
    0.0,
    27.584432464236492,
    8.844378757579547,
    6.67613787776984,
    0.4546297924706408,
    9.553604672476514,
    14.993316633386733,
    18.71658882479237,
    12.319652297586295,
    15.032511519267565,
    18.68622566718854,
    16.795409449325245,
    8.650501100995182,
    15.682670730114626,
    3.533980854319131,
    9.731445420083164,
    6.526826091571053,
    2.99722035414558,
    1.3525384190092982,
    5.684354147994914,
    2.6932644678666113,
    3.165120708762245,
    2.111662839802354,
    0.16030860933818625,
    7.0588602544876045,
    1.2259629676453596,
    2.2398359120865505,
    0.5838088885009289,
    0.7682846740357837,
    0.9421510731235433,
    0.7643313860853337,
    0.8907684533744098,
    0.9003576082746217,
    2.198936711464546,
    1.0323399798924304,
    2.5144146555424536,
    2.8051241370200506,
    0.5487012625270574,
    0.753471599696021,
    0.89931285776164,
    1.1058067958147788,
    1.2100890542140041,
    27.141373118976553,
    0.2071290154726598,
    0.4066286573608335,
    0.3824938804007858,
    0.30340964695686634,
    0.1842025717232166,
    1.5203077679282617,
    0.3994893092097452,
    0.28318743708908406,
    0.2715899693386241,
    0.2715899693386241,
    0.7837958690610394,
    0.7471825351233704,
    0.04121588683967106,
    0.13157920390776764,
    0.11600620974331305,
    1.7225070184256341,
    0.8465473992453831,
    0.4329429694197451,
    0.16232657993481656,
    0.3210897709873585,
    0.3934894193281725,
    0.3994893092097452,
    0.023809519979370794,
    0.041215886839671624,
    0.07517685045150549,
    0.7065991614266096,
    0.24624447707459313,
    0.8027540862012945,
    0.10590375988886688,
    1.2247449370650343,
    0.6715743855954758,
    0.0,
    0.023809519979370794,
    0.0,
    0.7650731322586606,
    0.0531792398563097,
    0.9307349611027143,
    0.0,
    0.05317923985630811,
    0.0,
    0.18425147073435602,
    1.0658136907292006,
    0.12293787574946322,
    0.05829358559580674,
    1.0123949942415373,
    0.05317923985631067,
    0.04757848434602551,
    0.30315823014783383,
    0.11600620974331503,
    0.0,
    0.0,
    0.24558246856921148,
    0.21374900078087247,
    0.0,
    0.06720958930731066,
    0.6365097301700442,
    0.4119004074608393,
    0.2504997548200378,
    0.11347135209957968,
    0.11100905706319288,
    0.08555361956323425,
    0.0,
    0.10325182305599663,
    0.04121588683967145,
    0.5146968812576689,
    0.21645773637176965,
    0.2125883586805302,
    0.0,
    0.0,
    0.48768614418534884,
    0.3076136030142486,
    0.2551484023091769,
    0.0,
    0.5217409710697036,
    0.023809519979370794,
    0.2093645716275528,
    0.29027333693174484,
    0.27637400478688723,
    0.058238367637411144,
    0.10590375988886697,
    0.23347080987047875,
    0.0,
    0.26839039879049137,
    0.5240716447129594,
    0.2313096824061707,
    4.628849730765954
  ],
  "num_attention_heads": 12,
  "num_hidden_layers": 12,
  "pad_token_id": 0,
  "position_embedding_type": "absolute",
  "property_subset": "all",
  "torch_dtype": "float32",
  "train_size": 0.3,
  "train_type": "mlm",
  "transformers_version": "4.34.1",
  "type_vocab_size": 2,
  "use_cache": true,
  "vocab_size": 4096
}