HITS Inc.'s models and data for Dacon challenge, Jump AI 2023
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下载链接：
https://zenodo.org/record/8409588
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资源简介：
Here deposits model and data files developed during HITS Inc.'s participation in the Dacon challenge, Jump AI 2023:
https://dacon.io/competitions/official/236127/overview/description
Note that the files here alone are less useful unless appropriate codes are employed.
File description:
pred_model_AutoGluon.tar.xz: AutoGluon model parameters for prediction.
valid_model_AutoGluon.tar.xz: AutoGluon model parameters for validation.
ckpts_original.tar.xz: fine-tuned MolCLR model parameters.
qc_out.tar.xz: molecular electronic structure files (.wfn).
sdf_optimized.tar.xz: molecular structure files (.sdf).
atomwfn.tar.xz: atomic electronic structure files (.wfn).
创建时间：
2023-10-07
