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[QUESTION]: How can I build a larger datasets than Enamine HTS? #50

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TH1052638958 opened this issue Feb 27, 2024 · 0 comments
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@TH1052638958
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I want to build a larger datasets than Enamine HTS

I got the receptor from the PDBFixer and I try to get the score using the folowing code :
111
and I got the error:
2ab24dbcf6eeb0f1128e4af6b662777

I use the parameter as the articale served.Can you tell me how to get the same score as the Enamine HTS or just give me the code and receptor files you use?

@TH1052638958 TH1052638958 added the question Further information is requested label Feb 27, 2024
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