whatamazing1 / DEAttentionDTA

a tool to predict protein-ligand binding affinity
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IndexError: index 5 is out of bounds for axis 0 with size 4 #2

Open myseverus opened 4 hours ago

myseverus commented 4 hours ago

Traceback (most recent call last): File "C:/Users/20825/Desktop/bioinformations/DEAttentionDTA-main1/src/main.py", line 45, in train_dataset = MyDataset('core2013',data_path, max_seq_len, max_smi_len) File "C:\Users\20825\Desktop\bioinformations\DEAttentionDTA-main1\src\Dataset.py", line 72, in init position[row[1]] = eval(row[5]) File "C:\anaconda\envs\train\lib\site-packages\pandas\core\series.py", line 978, in getitem return self._values[key] IndexError: index 5 is out of bounds for axis 0 with size 4 Hello, author, this error occurs when I run core2013 file, how should I solve it, thank you very much

whatamazing1 commented 4 hours ago

core2013 don't have the position attribute,and there is no position data in its data table,if you want to get the inference result of core2013, you can choose to run src-v2/main.py, v2 don't need the position。

myseverus commented 3 hours ago

Thank you for your answer. I was wondering if you could explain the difference between the src and srcv2 files.

---Original--- From: @.> Date: Mon, Nov 18, 2024 11:03 AM To: @.>; Cc: @.**@.>; Subject: Re: [whatamazing1/DEAttentionDTA] IndexError: index 5 is out ofbounds for axis 0 with size 4 (Issue #2)

core2013 don't have the position attribute,and there is no position data in its data table,if you want to get the inference result of core2013, you can choose to run src-v2/main.py, v2 don't need the position。

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whatamazing1 commented 44 minutes ago

https://academic.oup.com/bioinformatics/article/40/6/btae319/7696315
I explained in detail the differences between v1 and v2 in my article。