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Integrate binding pocket tool into DAVIS and KIBA datasets #129

Merged
merged 6 commits into from
Jul 31, 2024
Merged

Integrate binding pocket tool into DAVIS and KIBA datasets #129

merged 6 commits into from
Jul 31, 2024

Commits on Jul 24, 2024

  1. feat: download binding pockets from KLIFS (#123)

    @JacksonH44
    JacksonH44 committed Jul 24, 2024
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  2. feat: apply mask to all data observations (#123)

    @JacksonH44
    JacksonH44 committed Jul 24, 2024
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  3. fix: fix directory creation error in create_binding_pocket_dataset (#123 

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    @JacksonH44
    JacksonH44 committed Jul 24, 2024
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  4. feat: remove proteins with no KLIFS pocket from CSV (#123)

    @JacksonH44
    JacksonH44 committed Jul 24, 2024
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Commits on Jul 30, 2024

  1. feat: add functionality to pocket_alignment for DAVIS dataset (#123)

    @JacksonH44
    JacksonH44 committed Jul 30, 2024
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Commits on Jul 31, 2024

  1. feat(pocket): copy data_mol.pt from dataset to pocket dataset (#123)

    @JacksonH44
    JacksonH44 committed Jul 31, 2024
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