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Recent Releases of haddock3-webapp

haddock3-webapp - v0.3.11

Web application to run haddock3 Docking software.

What's Changed

  • Make containerslurm deployment enable submitterasaccount by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/164
  • Demonstration of webapp by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/155
  • When downloading zip files use nice filenames by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/169

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.10...v0.3.11

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.10

Web application to run haddock3 Docking software.

What's Changed

  • Fix deploy/containerslurm/Dockerfile by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/163
  • Openmm82 numpy2 by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/167
  • Build haddock3-webapp-portal image by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/168

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.9...v0.3.10

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.9

Web application to run haddock3 Docking software.

What's Changed

  • Misc by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/158
  • Latest wb core + pin bartender by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/160
  • Add sasascore module by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/161

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.8...v0.3.9

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.8

Web application to run haddock3 Docking software.

What's Changed

  • Make plotly menubar render ok by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/157
  • Gdock no longer part of Docker images due to unreachable install dependencies

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.7...v0.3.8

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.7

Web application to run haddock3 Docking software.

What's Changed

  • Add openmm module to catalog and docker image by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/156
  • Make cns in linux/arm64 images work

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.6...v0.3.7

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.6

Web application to run haddock3 Docking software.

What's Changed

  • Corrected Docker image build form linux/arm64

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.5...v0.3.6

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.5

Web application to run haddock3 Docking software.

What's Changed

  • Make run_dir optional when uploading in the builder by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/112
  • Use latest workflow builder packages and catalogs by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/137
  • Do not add water or ion residues to residue select component by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/145
  • Use table components from haddock3-ui by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/149
  • For protein docking scenario remove all non coord lines. by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/147
  • Allow easy expertise level to run protein ligand scenario by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/150
  • Run portal mode with docker compose by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/144
  • Ensembl loadable by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/151
  • Update catalog + use debug = false instead of less_io = true by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/153
  • Scoring scenario + refinement scenario + alascan page by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/140
  • Use haddock3 install which comes with cns executable by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/154

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.4...v0.3.5

- TypeScript
Published by sverhoeven over 1 year ago

haddock3-webapp - v0.3.4

Web application to run haddock3 Docking software.

What's Changed

  • Use haddock3 UI package by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/133
  • Protein glycan scenario by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/130
  • Save unfinished workflow for later use by @dmijatovic in https://github.com/i-VRESSE/haddock3-webapp/pull/131
  • Move scenarios page before build page by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/135

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.3...v0.3.4

- TypeScript
Published by sverhoeven almost 2 years ago

haddock3-webapp - v0.3.3

Web application to run haddock3 Docking software.

What's Changed

  • reload job status every 5 sec. and show monitoring message by @dmijatovic in https://github.com/i-VRESSE/haddock3-webapp/pull/110
  • Filter jobs by name by @dmijatovic in https://github.com/i-VRESSE/haddock3-webapp/pull/118
  • Scenario ligand + scenario dna/rna by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/120
  • GitHub auth by @dmijatovic in https://github.com/i-VRESSE/haddock3-webapp/pull/122

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.2...v0.3.3

- TypeScript
Published by sverhoeven almost 2 years ago

haddock3-webapp - v0.3.2

Web application to run haddock3 Docking software.

What's Changed

  • Smaller Docker images by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/117

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.1...v0.3.2

- TypeScript
Published by sverhoeven about 2 years ago

haddock3-webapp - v0.3.1

Web application to run haddock3 Docking software.

What's Changed

  • Build platforms for same image in single workflow by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/115

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.3.0...v0.3.1

- TypeScript
Published by sverhoeven about 2 years ago

haddock3-webapp - v0.3.0

Web application to run haddock3 Docking software.

What's Changed

  • Remix v2 by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/62
  • Rescore by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/51
  • Use default for run_dir by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/54
  • Re tools testing by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/67
  • Make ncores in workfow rewrite configurable by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/69
  • Edit name of submitted job by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/70
  • Add best ranked download by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/75
  • Improve error handling by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/71
  • Try out glitchtip for error tracking by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/76
  • Handle bad zips by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/77
  • Replace dasiyui with shadcn/ui by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/73
  • Compatible with @i-vresse/haddock3-analysis-components v0.4.0 by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/80
  • Add uploading of run archive by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/81
  • Deployments by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/82
  • Replace prisma with Drizzle ORM by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/84
  • Render contact map plots by parsing their plotly data from html files. by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/83
  • Delete job by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/86
  • Hide most global parameters on builder page by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/88
  • Add 2 scenarios by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/87
  • The node buttons render incorrectly by @dmijatovic in https://github.com/i-VRESSE/haddock3-webapp/pull/89
  • Help by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/90
  • Playwright by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/92
  • Create Ambiguous restraints from residue selection by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/91
  • Devcontainer by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/95
  • Passive active choice by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/98
  • Vite basename by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/103
  • Use workflow builder with autosave by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/106
  • Optional reference by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/108
  • Plot matrix by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/109
  • Update catalog and force pull of new version of haddock3 by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/111
  • Cbs portal auth by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/105
  • Publish docker images by @sverhoeven in https://github.com/i-VRESSE/haddock3-webapp/pull/104

New Contributors

  • @dmijatovic made their first contribution in https://github.com/i-VRESSE/haddock3-webapp/pull/89

Full Changelog: https://github.com/i-VRESSE/haddock3-webapp/compare/v0.2.0...v0.3.0

- TypeScript
Published by sverhoeven about 2 years ago

haddock3-webapp - v0.2.0

Web application to run haddock3 Docking software.

Added

  • User management, authentication and authorization with PostgreSQL, prisma and remix-auth

Changed

  • bartender web service authentication with asymmetric JWT token.
  • Use remix v2 route file naming

- TypeScript
Published by sverhoeven almost 3 years ago

haddock3-webapp - v0.1.0

Web application to run haddock3 Docking software.

Initial release

- TypeScript
Published by sverhoeven about 3 years ago