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dptech-corp / Uni-MOF

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Future Expansion of Gas List in the Uni-MOF #1

Open Andy6M opened 1 year ago

Andy6M commented 1 year ago

Hello,

I am currently using the Uni-MOF tutorial in the Bohrium, and I noticed that the gas list is defined as follows:

gas_list = ['CH4','CO2','Ar','Kr','Xe','O2','He','N2','H2'] I am interested in incorporating additional gases into my studies, specifically Ethylene (C2H4) and Ethane (C2H6). Are there any plans to expand this list to include these gases in the future?

Thank you for your assistance and for the work you've put into this project.

Best regards, Andy

Kinicia7 commented 1 year ago

Hi Andy,

Currently our database contains data points related to adsorption of ['CH4','CO2','Ar','Kr','Xe','O2','He','N2','H2'], and in the future we will keep updating our database to cover as much data as possible for gases with high application value in the field. In addition, in order to solve the gas expansion problem you mentioned, we have done inter-gas prediction experiments and the model has cross-gas prediction capability. The related data and weights will be continuously uploaded and maintained by us.

Thank you for your interest in Uni-MOF, and we hope it will be helpful to you.

Best regards, Jingqi