search

hspark1212 / MOFTransformer

Universal Transfer Learning in Porous Materials, including MOFs.
https://hspark1212.github.io/MOFTransformer/
86 stars 13 forks source link

Benchmark Data Request #153

Closed tyvanzou closed 10 months ago

tyvanzou commented 11 months ago

Benchmark Data Request

Intro

The result in "PMTransformer" of Table 2 has shown different properties of porous material. Most of benchmark data including COF, PPN and MOF data are available according to the reference in the paper except for Zeolite data, which come from the paper ZeoGAN. It seems that the author didn't provide the full data.

Request

Is it possible to share the benchmark data of Zeolite? The structure files and property file are needed to reproduce the result in the paper.

Other

I am a little unsure that for other benchmark, including MOF, COF and PPN, is the data provided by these references enough to reproduce the result in "PMTransformer"? Is there additional data calculated?

Thanks!

Yeonghun1675 commented 10 months ago

Hi @tyvanzou,

We have uploaded the benchmark data you requested to figshare (https://figshare.com/articles/dataset/Benchmark_data/24884001) . Each tar file contains the cif file, graph-data, and grid-data of train/test/val. Each property is written in json format, and you can set the property downstream.

tyvanzou commented 10 months ago

Hi @tyvanzou,

We have uploaded the benchmark data you requested to figshare (https://figshare.com/articles/dataset/Benchmark_data/24884001) . Each tar file contains the cif file, graph-data, and grid-data of train/test/val. Each property is written in json format, and you can set the property downstream.

Thanks for your kind sharing!