chemical_vae_pytorch

【文件属性】：
文件名称：chemical_vae_pytorch
文件大小：46.95MB
文件格式：ZIP
更新时间：2021-02-14 00:27:13
JupyterNotebook chemical_vae_pytorch

【文件预览】：
chemical_vae_pytorch-main
----.ipynb_checkpoints()
--------Chemical VAE-checkpoint.ipynb(122KB)
--------Chemical VAE QED-checkpoint.ipynb(212KB)
----data()
--------zinc_norm_data.csv(136B)
--------test_idx.npy(4KB)
--------250k_rndm_zinc_drugs_clean_3.csv(21.56MB)
--------zinc.json(176B)
----Chemical VAE.ipynb(246KB)
----models()
--------.ipynb_checkpoints()
--------logP_valid_losses.csv(9KB)
--------logP_decoder.pth(13.93MB)
--------qed_decoder.pth(13.93MB)
--------logP_losses.png(88KB)
--------logP_property_predictor.pth(4.57MB)
--------qed_valid_losses.csv(6KB)
--------qed_losses.png(81KB)
--------qed_property_predictor.pth(4.58MB)
--------logP_train_losses.csv(9KB)
--------qed_train_losses.csv(6KB)
--------qed_encoder.pth(1.96MB)
--------logP_encoder.pth(1.95MB)
----README.md(23B)