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Hi, Ziqiao
Thanks for sharing your codebase!
I am interested in your excellent work on "Molecular Property Prediction by Semantic-invariant Contrastive Learning."
I want to follow it, but its c…
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Hi! Thanks for your work!
I have a question about the prompt for molecular property prediction.
In the Section 4.1 (Tasks with selectively competitive (SC) performance), it said "the prompt inc…
bbjy updated
9 months ago
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Hello,
Can you share more details about how you prepared DAVIS and KIBA datasets?
I downloaded these datasets from here https://github.com/chao1224/GraphMVP/tree/main/datasets. Then preprocessed…
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- [x] I have searched to see if a similar issue already exists.
**Is your feature request related to a problem? Please describe.**
As graph learning is increased on huggingface, a major applic…
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[UPDATED]
We'll update to [biolink-model 4.1.6](https://github.com/biolink/biolink-model/releases):
* it has inverses for all new predicates (4.1.4)
* has some SEMMEDDB mappings we use when gener…
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Hello to everybody,
I tried permeability prediction in PK-Sim for three neutral compounds from the paper Thelen et al., 2011: theophylline, paracetamol, caffeine. The resulting permeabilities display…
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### 请提出你的问题 Please ask your question
文章 GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction
代码位置 preprocess.py 函数 3D文件生成 preprocess.featurize_mol_sdf（mol）
问题描述：该部分报错提示要…
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Tracking updates of www.redditgifts.com
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All the excitation energies by me are vertical.
For GAMESS B3LYP optimized non-planar styrene, EOMCCSD(6-31+G*) gives /eV (8 states using symmetry A, macOS 2020R1 binarry, 6 states using the compile…
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Hi All,
Hope that you are okay. Just to provide a bit of background, I have been trying to run the finetuneRegr.py script in the conda command line in order to fine-tune the model and predict the con…