-
Hello, I am a senior student and I am new in the field of deep learning.
For zero-shot structure-text retrieval, I have basically reproduced the results for the SMILES modality correctly.
This is …
-
Thank you for an interesting repo.
I went through the code and I noticed that you used two different mol_to_graph_data_obj_simple functions for contrastive pre-training and property prediction fine…
-
Following up on my previous post, I tried to run all the demos, however, for each of them I failed at its last step, and received the pretty much the similar error.
`
TypeError …
-
For zero-shot molecule editing, I am not getting the expected results as shown in the repository's notebook.
Do you have a suggestion to improve this result.
This is what I get.
```
===== fo…
-
作者你好!我在使用您给出的code和checkpoint进行molecule editing,但是我使用默认参数似乎无法复现出文章里给出的结果,请问是我的哪些参数设置有问题吗?:)
-
Thanks for sharing the great work. I was trying to run the demo_pretrain_Graph.ipynb, and cannot run the last step.
![Screenshot 2024-05-04 at 12 48 35 PM](https://github.com/chao1224/MoleculeSTM/as…
-
Hello!
Thank you for your excellent work! I hope to try the scripts you provided and have downloaded the relevant checkpoints following your tutorial. But when I used `python pretrain.py --verbose -…
-
Hi! Thanks for the interesting work! I was just wondering if you had and comparisons of BioT5+ to MoleculeSTM or ProteinDT. They are mentioned in the paper but no comparison is given on the text-guide…
-
Hello, I have installed all required packages following the README
When I run any script in section 4, I got this error which seems indicates a compatibility issue between the installed versions of P…
-
Hello, I have downloaded the toy checkpoint that you provided.
However, when I try to run the script "downstream_01_retrieval_ATC_Retrieval.py", I have noticed that the text model dict does not matc…