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Rescore #51

Merged
merged 120 commits into from
Jan 25, 2024
Merged

Rescore #51

merged 120 commits into from
Jan 25, 2024

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sverhoeven
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@sverhoeven sverhoeven commented Sep 5, 2023

Fixes #50
Fixes #49
Fixes #24
Fixes #55
Refs haddocking/haddock3#686

Requires

Takes about 450ms to run rescore after pressing button and seeing new scores for the a run with docking-antibody-antigen-ranairCDR-clt-test.cfg.

Each tool has own page for submitting and viewing results
localhost_3000_jobs_1_rescore (1)

Added 🔧 tool link on browse page

localhost_3000_jobs_9_browse

When job is completed and user has preferred expertise level easy then result (the last caprieval) is shown as

localhost_3000_jobs_4_report

Perform reclustering with clustfcc

localhost_3000_jobs_4_tools_reclustrmsd_7 (1)

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Need to fix i-VRESSE/haddock3-analysis-components#6 for green CI

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Added crude page for contact map module.

192 168 1 176_3000_jobs_33_analysis_contactmap_13

@VGPReys would be nice if module would generate such a file.

However remix-auth packages are not compatible
….5 is released

Lint error is corrected in main, but missing release.

Following error:

node_modules/remix-keycloak/build/index.d.ts:39:22 - error TS2415: Class 'KeycloakStrategy<User>' incorrectly extends base class 'OAuth2Strategy<User, KeycloakProfile, KeycloakExtraParams>'.
  Property 'scope' is private in type 'KeycloakStrategy<User>' but not in type 'OAuth2Strategy<User, KeycloakProfile, KeycloakExtraParams>'.

39 export declare class KeycloakStrategy<User> extends OAuth2Strategy<User, KeycloakProfile, KeycloakExtraParams> {
@sverhoeven sverhoeven marked this pull request as ready for review January 23, 2024 12:17
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sverhoeven commented Jan 25, 2024

This PR has gone on long enough. Lets merge.

To use the re-* tools you need to have haddock3 haddocking/haddock3@main...interactive_rescoring branch installed
Also use examples from that branch as come parameters have been renamed.

@sverhoeven sverhoeven merged commit 811af37 into main Jan 25, 2024
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@sverhoeven sverhoeven deleted the rescore branch January 25, 2024 14:55
@sverhoeven sverhoeven mentioned this pull request Jan 25, 2024
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