MOFTransformer
收藏DataCite Commons2022-09-30 更新2024-07-29 收录
下载链接：
https://figshare.com/articles/dataset/MOFTransformer/21155506
下载链接
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资源简介：
- the pretrained model with 1M hMOFs (best_mtp_moc_vfp.ckpt) <br> - dataset for public database (qmof_v13_realse.tar.gz, coremof_release.tar.gz) <br> - downstream dataset for finetuning (downstream_dataset.tar.gz) <br> === Feature importance tutorial === - the finetuned model with PBE bandgap in QMOF database (with 20,135 structures) (finetuned_bandgap.ckpt) <br> - the finetuned model with H2 uptake (with 20,000 structures) (finetuned_h2_uptake.ckpt)
提供机构：
figshare
创建时间：
2022-09-19
