Yueming Yin

icon company Nanyang Technological University icon location Singapore icon location I'm currently a research fellow at Nanyang Technological University.

Results 4 issues of Yueming Yin

Reproduction of Model Training

Dear Wei Could you please provide guidelines for reproducing model training in the Readme? Thanks.

Visualizing complexes in protein 3D structures

9 comment

What a great job! Only the SDF files of small molecules are output in the "results/user_predictions_small" folder when I infer with the example code： `python -m inference --protein_ligand_csv data/protein_ligand_example_csv.csv --out_dir...

question

How to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule?

I don't know how to use SQL to get the table of all rules in the mmpdb file, as well as the number of pairs, and statistics for each rule....

KeyError: ['mother_mask_label']

5 comment

Hi, Georgeoshardo. I encountered the error "KeyError: ['mother_mask_label']" when I ran "my_lineage = Lineage(my_simulation)" in the MM_lineage_example.ipynb. I print the df and did not find any key called 'mother_mask_label' in...