-
Dear authors,
thanks for sharing this repo. May I ask how you get the matched pair and get the difference between pair of mols in the paper "Quantitative Evaluation of Explainable Graph Neural Netwo…
wjxts updated
1 month ago
-
I am working on fine-tuning uni-mol for predicting molecular properties and have noticed an inconsistency in the data processing methods provided in the repository. There are some **small differences*…
ASIWU updated
7 months ago
-
I tried to run the fine-tuning script provided in Uni-Mol (pasted here for easy reference).
```
data_path="./molecular_property_prediction" # replace to your data path
save_dir="./save_finetune…
-
**Summary !!!**
- **BioModel Name**: Zeng2022 - Prediction of molecular properties and drug targets using a self-supervised learning framework
- **BioModel Tag**: fair AIML, Machine learning mo…
-
I have noticed a significant disparity between the predicted values and the labels when using Unimol tools for predicting molecular properties, especially when the molecular property values are either…
-
The ipynb file has only classification learning examples... I want to perform regression prediction on molecular property values(non-binary, predict continuous values).
Therefore, it would be appre…
-
Hello,
As a beginner in this field, I am referring to the examples/property_prediction/csv_data_configuration/README.md file in your repository. In the Modeling section of this README, it describes…
-
**Summary !!!**
- **BioModel Name**: Zeng2022 - Prediction of molecular properties and drug targets using a self-supervised learning framework for HIV
- **BioModel Tag**: fair AIML, Machine lea…
-
Thank you for providing all the code, it's a very interesting model!
Have you by any chance insights into how Uni-Mol performs for molecular property prediction when it's pre-trained on the 2M molecu…
-
**Description:** Opens the door to leveraging algorithms in the areas of Centrality, Community Detection, Pathfinding, Topological Link Prediction, etc. Bringing to bear advances made in Machine Learn…