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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…
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Hi, this is a very cool work, thanks for sharing this repository.
We found that the performance of the toy checkpoints provided by huggingface is much lower than the results in the paper, whether it …
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Hi, great work! I wonder if it is possible to input a ".cif" file containing the molecular structure and extract its latent features?
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Hi,
I am trying to get pretrained MegaMolBART files as you described in [here.](https://github.com/chao1224/MoleculeSTM/blob/main/README.md#32-megamolbart)
However, something is not working after …
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在使用指令python downstream_02_molecule_edit_step_01_MoleculeSTM_Space_Alignment.py \
--MoleculeSTM_molecule_type=Graph \
--MoleculeSTM_model_dir=../data/demo/demo_checkpoints_Graph
运行Molecu…
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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…
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Hi, thank you for opening this repository.
Your work is quite interesting!
I would like to run your code from the pretraining and downstream tasks, and then is there any expectation when your datase…
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Hi, thanks for providing your code, your work seems very promising!
However I couldn't find the documentation I was looking for. If I understand correctly, GraphMVP is able to input a molecular gra…