Commit History

  1. Update ZINC representations and predicted caches⁠

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    5dfb839

  1. Remove obsolete predicted-binding cache: search_representation=morgan_1024_r2__search_metric=tanimoto__zinc_search_threshold=0.5

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    bd098c4
  2. Remove obsolete predicted-binding cache: search_representation=morgan_1024_r2__search_metric=tanimoto__cache_threshold_min=0.3

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    712bf36
  3. Replace Morgan Tanimoto predicted cache with threshold 0.4

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    331fb84

  1. Update predicted cache index predicted_binding_rowgroup_index.json

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    1c91b10
  2. Add cached protein index for predicted ligand cache

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    06a012f

  1. Add BSI MPG 1024 models

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    71eaf16

  1. Remove legacy flat predicted zinc cache files

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    fdc0ea9
  2. Upload regenerated default 0.3 predicted cache

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    9795406

  1. Stabilize default cache manifest fingerprint

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    ad341c6
  2. Refresh default cache manifest fingerprint

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    8e0ae23
  3. Publish default precalculated ZINC cache

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    a8bfbce
  4. Add default-ready search assets (pfam)

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    316aeac
  5. Add default Morgan assets for ZINC compound_data

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    cd8fb37
  6. Add default Morgan assets for ZINC compound_data

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    606a5f5
  7. Add default Morgan assets for ZINC compound_data

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    b1b9e4d
  8. Add default Morgan assets for compound_data

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    37d69cd
  9. Add default Morgan assets for compound_data

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    7ae6d74
  10. Add default Morgan assets for compound_data

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    05b8ab3
  11. Update default-ready known binding data

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    bdc47d9
  12. Add default-ready search assets (blast)

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    00ea444

  1. added sequences files

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    3735015
  2. added precalculated results databases

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    e57cc80

  1. Updated metadata

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    1574772
  2. Updated chembl databases

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    8ac7d1d
  3. added zinc database download guide

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    e3d9ce1

  1. Uploaded already processed pdb ids

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    6682ab1
  2. Added ligand-smiles files

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    863ae01
  3. added metadata file

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    30eedf6
  4. added uniprot sequences file

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    a3873b2
  5. Added chembl and pdb binding data

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    41d607a
  6. initial commit

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    0686a56