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初始化项目，由ModelHub XC社区提供模型

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Model: wudejian789/MolMetaLM-base
Source: Original Platform
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ModelHub XC
2026-05-30 23:22:19 +08:00
commit 6dd5bb7b8d
10 changed files with 14635 additions and 0 deletions
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added_tokens.json Normal file
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@@ -0,0 +1,782 @@
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"[RDKit:AUTOCORR2D_99]": 295,
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"[RDKit:BCUT2D_CHGLO]": 298,
"[RDKit:BCUT2D_LOGPHI]": 299,
"[RDKit:BCUT2D_LOGPLOW]": 300,
"[RDKit:BCUT2D_MRHI]": 301,
"[RDKit:BCUT2D_MRLOW]": 302,
"[RDKit:BCUT2D_MWHI]": 303,
"[RDKit:BCUT2D_MWLOW]": 304,
"[RDKit:BalabanJ]": 305,
"[RDKit:BertzCT]": 306,
"[RDKit:Chi0]": 307,
"[RDKit:Chi0n]": 308,
"[RDKit:Chi0v]": 309,
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"[RDKit:Chi1n]": 311,
"[RDKit:Chi1v]": 312,
"[RDKit:Chi2n]": 313,
"[RDKit:Chi2v]": 314,
"[RDKit:Chi3n]": 315,
"[RDKit:Chi3v]": 316,
"[RDKit:Chi4n]": 317,
"[RDKit:Chi4v]": 318,
"[RDKit:EState_VSA10]": 320,
"[RDKit:EState_VSA11]": 321,
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"[RDKit:EState_VSA9]": 329,
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"[RDKit:FpDensityMorgan1]": 331,
"[RDKit:FpDensityMorgan2]": 332,
"[RDKit:FpDensityMorgan3]": 333,
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"[RDKit:MaxAbsPartialCharge]": 342,
"[RDKit:MaxEStateIndex]": 343,
"[RDKit:MaxPartialCharge]": 344,
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"[RDKit:MinAbsPartialCharge]": 346,
"[RDKit:MinEStateIndex]": 347,
"[RDKit:MinPartialCharge]": 348,
"[RDKit:MolLogP]": 349,
"[RDKit:MolMR]": 350,
"[RDKit:MolWt]": 351,
"[RDKit:NHOHCount]": 88,
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"[RDKit:NumAliphaticCarbocycles]": 90,
"[RDKit:NumAliphaticHeterocycles]": 91,
"[RDKit:NumAliphaticRings]": 92,
"[RDKit:NumAromaticCarbocycles]": 93,
"[RDKit:NumAromaticHeterocycles]": 94,
"[RDKit:NumAromaticRings]": 95,
"[RDKit:NumHAcceptors]": 96,
"[RDKit:NumHDonors]": 97,
"[RDKit:NumHeteroatoms]": 98,
"[RDKit:NumRadicalElectrons]": 352,
"[RDKit:NumRotatableBonds]": 99,
"[RDKit:NumSaturatedCarbocycles]": 100,
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"[RDKit:PEOE_VSA10]": 355,
"[RDKit:PEOE_VSA11]": 356,
"[RDKit:PEOE_VSA12]": 357,
"[RDKit:PEOE_VSA13]": 358,
"[RDKit:PEOE_VSA14]": 359,
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"[RDKit:PEOE_VSA2]": 360,
"[RDKit:PEOE_VSA3]": 361,
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"[RDKit:PEOE_VSA5]": 363,
"[RDKit:PEOE_VSA6]": 364,
"[RDKit:PEOE_VSA7]": 365,
"[RDKit:PEOE_VSA8]": 366,
"[RDKit:PEOE_VSA9]": 367,
"[RDKit:RingCount]": 103,
"[RDKit:SMR_VSA10]": 369,
"[RDKit:SMR_VSA1]": 368,
"[RDKit:SMR_VSA2]": 370,
"[RDKit:SMR_VSA3]": 371,
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"[RDKit:SMR_VSA7]": 375,
"[RDKit:SMR_VSA8]": 376,
"[RDKit:SMR_VSA9]": 377,
"[RDKit:SPS]": 378,
"[RDKit:SlogP_VSA10]": 380,
"[RDKit:SlogP_VSA11]": 381,
"[RDKit:SlogP_VSA12]": 382,
"[RDKit:SlogP_VSA1]": 379,
"[RDKit:SlogP_VSA2]": 383,
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"[RDKit:SlogP_VSA4]": 385,
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"[RDKit:SlogP_VSA7]": 388,
"[RDKit:SlogP_VSA8]": 389,
"[RDKit:SlogP_VSA9]": 390,
"[RDKit:TPSA]": 391,
"[RDKit:VSA_EState10]": 393,
"[RDKit:VSA_EState1]": 392,
"[RDKit:VSA_EState2]": 394,
"[RDKit:VSA_EState3]": 395,
"[RDKit:VSA_EState4]": 396,
"[RDKit:VSA_EState5]": 397,
"[RDKit:VSA_EState6]": 398,
"[RDKit:VSA_EState7]": 399,
"[RDKit:VSA_EState8]": 400,
"[RDKit:VSA_EState9]": 401,
"[RDKit:fr_Al_COO]": 402,
"[RDKit:fr_Al_OH]": 403,
"[RDKit:fr_Al_OH_noTert]": 404,
"[RDKit:fr_ArN]": 405,
"[RDKit:fr_Ar_COO]": 406,
"[RDKit:fr_Ar_NH]": 408,
"[RDKit:fr_Ar_N]": 407,
"[RDKit:fr_Ar_OH]": 409,
"[RDKit:fr_COO2]": 411,
"[RDKit:fr_COO]": 410,
"[RDKit:fr_C_O]": 412,
"[RDKit:fr_C_O_noCOO]": 413,
"[RDKit:fr_C_S]": 414,
"[RDKit:fr_HOCCN]": 415,
"[RDKit:fr_Imine]": 416,
"[RDKit:fr_NH0]": 417,
"[RDKit:fr_NH1]": 418,
"[RDKit:fr_NH2]": 419,
"[RDKit:fr_N_O]": 420,
"[RDKit:fr_Ndealkylation1]": 421,
"[RDKit:fr_Ndealkylation2]": 422,
"[RDKit:fr_Nhpyrrole]": 423,
"[RDKit:fr_SH]": 424,
"[RDKit:fr_aldehyde]": 425,
"[RDKit:fr_alkyl_carbamate]": 426,
"[RDKit:fr_alkyl_halide]": 427,
"[RDKit:fr_allylic_oxid]": 428,
"[RDKit:fr_amide]": 429,
"[RDKit:fr_amidine]": 430,
"[RDKit:fr_aniline]": 431,
"[RDKit:fr_aryl_methyl]": 432,
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"[RDKit:fr_azo]": 434,
"[RDKit:fr_barbitur]": 435,
"[RDKit:fr_benzene]": 436,
"[RDKit:fr_benzodiazepine]": 437,
"[RDKit:fr_bicyclic]": 438,
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"[RDKit:fr_dihydropyridine]": 440,
"[RDKit:fr_epoxide]": 441,
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"[RDKit:fr_ether]": 443,
"[RDKit:fr_furan]": 444,
"[RDKit:fr_guanido]": 445,
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"[RDKit:fr_hdrzine]": 447,
"[RDKit:fr_hdrzone]": 448,
"[RDKit:fr_imidazole]": 449,
"[RDKit:fr_imide]": 450,
"[RDKit:fr_isocyan]": 451,
"[RDKit:fr_isothiocyan]": 452,
"[RDKit:fr_ketone]": 453,
"[RDKit:fr_ketone_Topliss]": 454,
"[RDKit:fr_lactam]": 455,
"[RDKit:fr_lactone]": 456,
"[RDKit:fr_methoxy]": 457,
"[RDKit:fr_morpholine]": 458,
"[RDKit:fr_nitrile]": 459,
"[RDKit:fr_nitro]": 460,
"[RDKit:fr_nitro_arom]": 461,
"[RDKit:fr_nitro_arom_nonortho]": 462,
"[RDKit:fr_nitroso]": 463,
"[RDKit:fr_oxazole]": 464,
"[RDKit:fr_oxime]": 465,
"[RDKit:fr_para_hydroxylation]": 466,
"[RDKit:fr_phenol]": 467,
"[RDKit:fr_phenol_noOrthoHbond]": 468,
"[RDKit:fr_phos_acid]": 469,
"[RDKit:fr_phos_ester]": 470,
"[RDKit:fr_piperdine]": 471,
"[RDKit:fr_piperzine]": 472,
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"[RDKit:fr_prisulfonamd]": 474,
"[RDKit:fr_pyridine]": 475,
"[RDKit:fr_quatN]": 476,
"[RDKit:fr_sulfide]": 477,
"[RDKit:fr_sulfonamd]": 478,
"[RDKit:fr_sulfone]": 479,
"[RDKit:fr_term_acetylene]": 480,
"[RDKit:fr_tetrazole]": 481,
"[RDKit:fr_thiazole]": 482,
"[RDKit:fr_thiocyan]": 483,
"[RDKit:fr_thiophene]": 484,
"[RDKit:fr_unbrch_alkane]": 485,
"[RDKit:fr_urea]": 486,
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"[SEP]": 843,
"[SPAN]": 844,
"[SPM_AAD(PAIR)]": 536,
"[SPM_AAD]": 512,
"[SPM_DDD(PAIR)]": 535,
"[SPM_DDD]": 511,
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"[SPM_XYZ]": 513,
"[SUB]": 849,
"[VALUE]": 845,
"[XYZ]": 846,
"[mGLM_pro_val(PAIR)]": 527,
"[mGLM_pro_val]": 503,
"[mMLM(PAIR)]": 517,
"[mMLM]": 493,
"[mPGLM_smi_pro(PAIR)]": 531,
"[mPGLM_smi_pro]": 507,
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"[mPGLM_smi_val]": 508,
"[mPLM(PAIR)]": 520,
"[mPLM]": 496,
"[mPPLM(PAIR)]": 523,
"[mPPLM]": 499,
"[mPPM(PAIR)]": 534,
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"[sGLM_pro(PAIR)]": 525,
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"[sGLM_smi(PAIR)]": 524,
"[sGLM_smi]": 500,
"[sGLM_val(PAIR)]": 526,
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"[sMLM_pro(PAIR)]": 515,
"[sMLM_pro]": 491,
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"[sMLM_smi]": 490,
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"[sMLM_val]": 492,
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"[sPGLM_smi]": 504,
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"[sPGLM_val]": 506,
"[sPLM_pro_val(PAIR)]": 519,
"[sPLM_pro_val]": 495,
"[sPLM_smi(PAIR)]": 518,
"[sPLM_smi]": 494,
"[sPPLM_pro_val(PAIR)]": 522,
"[sPPLM_pro_val]": 498,
"[sPPLM_smi(PAIR)]": 521,
"[sPPLM_smi]": 497,
"[sPPM(PAIR)]": 533,
"[sPPM]": 509
}