Data and trained model for iPXRDnet

This data set is a collection of data sets and model checkpoint in the iPXRDnet. Model checkpoint file:hMOF-130T: Adsorption prediction model in the hMOF-130T database obtained by traininghmof-300T: Adsorption prediction model in the hMOF-300T database obtained by trainingARC-8:2: Separation selectivity prediction model obtained by trainingGAS_SD-7:3: Self-diffusion coefficients prediction model obtained by trainingMOD-8:2: Bulk modulus and shear modulus prediction model obtained by trainingexAPMOF-1bar-ALM+PXRD: Experimental adsorption isotherm model of Anion-pillared MOFs obtained by training with PXRD and material ligandsexAPMOF-1bar-ALM: Experimental adsorption isotherm model of Anion-pillared MOFs obtained by training with material ligands onlyexAPMOF-1bar-PXRD: Experimental adsorption isotherm model of Anion-pillared MOFs obtained by training with PXRD onlyexAPMOF-ISO :Experimental adsorption isotherm model of Anion-pillared MOFs obtained by training Data sets file:hmof-xrd+str+ad :PXRD and gas adsorption and structural feature of hmof-300T databasehMOF-130T_ad_list_mof :Gas adsorption data of hmof-130T database hMOF-130T_GAS_DICT :Gas descriptors data of hmof-130T databasehMOF-130T_STR_DICT :Structural feature data of hmof-130T databasehMOF-130T_PXRD_DICT :PXRD data of hmof-130T databasedata_ARCMOF :Separation selectivity data in ARC-MOF databasePXRD_dict_ARCMOF :PXRD data in ARC-MOF databaseMOD_data :Bulk modulus and shear modulus data of Moghadam's MOFsMOD_PXRD_dict : PXRD data of Moghadam's MOFsGAS_SD-data : self-diffusion coefficients data in CoREMOF databasegas_dict : gas descriptors data used in the self-diffusion coefficients databasePXRD_DICT : PXRD data of MOFs in Anion-pillared MOFs' experimental databaseSmiles_ads : Smiles data of gas in Anion-pillared MOFs' experimental databaseall_exAPMOF-1bar : Anion-pillared MOFs' experimental adsorption data under 298K and 1 bar.exAPMOF_DICT : Anion-pillared MOFs' Smiles data of MOFs' ligands and descriptors of metal centers in the experimental databaseall_exAPMOF-iso : Key library of MOF and gas combinations in Anion-pillared MOFs' experimental isotherm database.exAPMOF_ISOdata: Anion-pillared MOFs' experimental adsorption isotherm data under 298K.