HongxinXiang ImageMol issues

HongxinXiang / ImageMol

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.

https://www.nature.com/articles/s42256-022-00557-6

MIT License

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mismatch between the model architecture expected by your code and the state dictionary keys present in the checkpoint file I am trying to load.

#20 AbdulmajeedCE opened 1 month ago
17
Why did the authors choose to compare the ImageMol model, which was pretrained on 10 million data points from the PubChem dataset, with the ImageMol_NonPretrained model that uses a ResNet18 architecture with randomly initialized weights? It seems potentially unfair as the non-pretrained model might be at a disadvantage. Additionally, could you clarify how the ImageMol_NonPretrained model achieved a higher AUC than Jure’s GNN in some cases? Thank you so much

#19 ldkien-304 closed 1 month ago
1
The mismatch in the number of classes of output dimension of the jigsaw puzzle prediction task

#18 ldkien-304 closed 1 month ago
1
running imagemol on gpu

#17 SoodabehGhaffari opened 7 months ago
0
issue with ImageMol performance

#16 SoodabehGhaffari opened 8 months ago
6
issue with new evaluate.py

#15 SoodabehGhaffari closed 10 months ago
4
pretrained model

#14 SoodabehGhaffari closed 11 months ago
4
hyperparameter optimization

#13 SoodabehGhaffari closed 8 months ago
3
issue with evaluate.py

#12 SoodabehGhaffari closed 11 months ago
1
tsne of molecular representation

#11 ghost opened 1 year ago
0
Documentation improvement

#10 Zainab-ik closed 11 months ago
1
ImportError: cannot import name 'parallel_info' from 'torch.config'

#9 Zainab-ik closed 11 months ago
2
关于MPP下游任务实验结果的复现

#8 MrsW6 closed 8 months ago
1
Finetune ImageMol with multiclass labels

#7 pykao closed 1 year ago
2
Reproducing Results for Finetuning ImageMol on GPCR assays and Sars-CoV2 assays

#6 DhanshreeA closed 1 year ago
4
feature extraction script?

#5 pykao closed 1 year ago
2
Create environment.yml

#4 pykao closed 1 year ago
0
IndexError for getting labels

#3 ddayzzz closed 1 year ago
2
where is your pre-train model?

#2 songyu2022 closed 11 months ago
1
pretrained model

#1 gao-qs closed 11 months ago
1