file missing in data folder

gcorso / DiffDock

Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

https://arxiv.org/abs/2210.01776

MIT License

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file missing in data folder #204

Open ssalaniwal opened 3 months ago

ssalaniwal commented 3 months ago

Per instructions there should be a file "protein_ligand_example_csv.csv" in the data sub-folder, however in my installation only the following files exist:

drwxr-xr-x 2 root root 4096 Mar 21 14:44 1a0q drwxr-xr-x 2 root root 4096 Mar 21 14:44 splits -rw-r--r-- 1 root root 37359 Mar 21 14:44 testset_csv.csv

srilekha1993 commented 3 months ago

@ssalaniwal Use the format of testset_csv.csv file for your reference and add (complex_name , protein_sequence) columns in csv