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【BUG】can't find '__main__' module in '/root/lyd/unimol/Prediction/scripts/./train_dataset'

bugSomething isn't workingSomething isn't working

Status: Open.

#311 In deepmodeling/Uni-Mol;

· Carpdong opened on Jan 7, 2025

使用Grad-CAM神经网络可视化技术，对微调的Unimol模型预测HOMO能级进行可视化分析，请问这一想法是否合理

Status: Open.

#308 In deepmodeling/Uni-Mol;

· jianing1997 opened on Dec 30, 2024

无法生成3D构象

Status: Open.

#305 In deepmodeling/Uni-Mol;

· sunyrain opened on Dec 19, 2024

微调之后的模型，用来预测HOMO能级，在边界出现预测值不变的情况

wontfixThis will not be worked onThis will not be worked on

Status: Open.

#303 In deepmodeling/Uni-Mol;

· jianing1997 opened on Dec 18, 2024

问题请教

Status: Open.

#300 In deepmodeling/Uni-Mol;

· buyudaren3 opened on Dec 14, 2024

微信二维码过期了

Status: Open.

#296 In deepmodeling/Uni-Mol;

· Karson-York opened on Dec 5, 2024

classification

Status: Open.

#293 In deepmodeling/Uni-Mol;

· alanianeselli opened on Nov 27, 2024

Use pre-split data in UniMol Tools

Status: Open.

#292 In deepmodeling/Uni-Mol;

· am2145 opened on Nov 25, 2024

跑通

Status: Open.

#289 In deepmodeling/Uni-Mol;

· Self-333 opened on Nov 18, 2024

How to implement a simple inference?

Status: Open.

#287 In deepmodeling/Uni-Mol;

· 18930215187 opened on Nov 1, 2024

How to reimplement with other molecular feature

Status: Open.

#286 In deepmodeling/Uni-Mol;

· legendzzy opened on Oct 29, 2024

DEMO code for extracting features using UNIMOL2

Status: Open.

#284 In deepmodeling/Uni-Mol;

· pansanity666 opened on Oct 28, 2024