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Hi, when I am running the code :
python pretrain.py \
--verbose --batch_size=8 \
--molecule_type=Graph
There is an attributeError, it seems that there is some error in the data, but I down…
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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…
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For scirpts and demos Chapter in README.md, you list 4.3 Downstream: Zero-shot Text-based Molecule Editing and use task_id=101 for example.
I wonder how to run task_id in seq(201, 206)? Should I jus…
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### 🚀 The feature, motivation and pitch
Paper: https://ai4d3.github.io/papers/34.pdf
Part of the community sprint https://github.com/pyg-team/pytorch_geometric/issues/9694
The goal of this projec…
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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?:)
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Dear authors,
Thanks for the exciting work, but we have identified a potential inconsistency related to the OGB version specified in requirements.txt and the provided pre-trained weights.
### De…
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Hi @AspirinCode , very impressive list!
We have a series of works that are also related to molecule editing or lead optimization
- [GraphCG](https://openreview.net/forum?id=wyU3Q4gahM), unsupervis…
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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 …
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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 …
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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 -…