| { | |
| "_name_or_path": "/data/users/mrdupont/emtrl/models/pretrained_cluster/mlm-bert-30", | |
| "architectures": [ | |
| "BertForRegression" | |
| ], | |
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| "classifier_dropout": null, | |
| "hidden_act": "gelu", | |
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| "1": "MaxEStateIndex", | |
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| "3": "MinEStateIndex", | |
| "4": "qed", | |
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| "9": "NumValenceElectrons", | |
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| "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", | |
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| "68": "SMR_VSA8", | |
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| "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", | |
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| "123": "MolMR", | |
| "124": "fr_Al_COO", | |
| "125": "fr_Al_OH", | |
| "126": "fr_Al_OH_noTert", | |
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| "128": "fr_Ar_COO", | |
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| "158": "fr_benzene", | |
| "159": "fr_benzodiazepine", | |
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| "168": "fr_halogen", | |
| "169": "fr_hdrzine", | |
| "170": "fr_hdrzone", | |
| "171": "fr_imidazole", | |
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| "173": "fr_isocyan", | |
| "174": "fr_isothiocyan", | |
| "175": "fr_ketone", | |
| "176": "fr_ketone_Topliss", | |
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| "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", | |
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| "205": "fr_thiocyan", | |
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| "207": "fr_unbrch_alkane", | |
| "208": "fr_urea" | |
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