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Training new pocket representation #133

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wants to merge 8 commits into from
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Training new pocket representation #133

wants to merge 8 commits into from

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@jyaacoub jyaacoub commented Aug 2, 2024

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jyaacoub and others added 8 commits August 2, 2024 10:43
To limit distribution drift issues mentioned in #131.
… index renumbering #103

- Had to make some modifications since edge index needs to be updated after applying the mask so that it still points to the right nodes and we dont get something like an "IndexError" for being out of bounds

- Also error due to not removing all proteins without pocket sequences (line 216 saved the old dataset instead of the new one).

- Successfully built pocket datasets for davis and kiba

#131 #103
@jyaacoub jyaacoub closed this Aug 7, 2024
@jyaacoub jyaacoub deleted the v103 branch August 7, 2024 15:44
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