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User manual #4

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sistar2020 opened this issue Jul 28, 2024 · 1 comment
Open

User manual #4

sistar2020 opened this issue Jul 28, 2024 · 1 comment
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@SimonCrouzet

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@sistar2020
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Hello.
I installed g-clip and downloaded all the necessary data and .pt files.
Now how do I proceed further to calculate a binding affinity for arbitrary protein and ligand?
Could you provide some kind user manual or tutorial?
Thanks.
@SimonCrouzet
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Hello @sistar2020,

Thank you for your interest in G-PLIP. I'm updating a pretrained model with some instructions to use it, I'll come back to you once it's done.

Best,

@SimonCrouzet SimonCrouzet self-assigned this Aug 5, 2024
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@SimonCrouzet SimonCrouzet

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@SimonCrouzet @sistar2020