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New Web Interface for ChEMBL @ EMBL-EBI
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nclopezo Merge pull request #1125 from chembl/restructure-compound-name-and-cl…
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Restructure compound name and classification
Latest commit f5b652b May 23, 2019
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chemvue Applying suggested changes May 14, 2019
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.travis.yml download and set up geckodriver for selenium May 10, 2019
CONTRIBUTING.md Create CONTRIBUTING.md Oct 26, 2017
Dockerfile Containerisation of GLaDOS using Docker Jan 29, 2019
LICENSE first commit Feb 17, 2016
Manifest.in Selenium, Javascript tests fixes Oct 27, 2016
Procfile new no install running command Oct 5, 2017
README.md chemvue app url fixs Apr 5, 2019
deploy_to.sh use of printf to print new lines and trapping control-c exits Sep 25, 2017
docker-compose.yml Containerisation of GLaDOS using Docker Jan 29, 2019
fails.json Fix bug when restoring sticky query from a saved state Feb 21, 2019
fireitup.sh Adding Docker and VueJS info to README.md Feb 7, 2019
manage.py Add translations configuration for en_gb Oct 18, 2017
manage_glados_no_install.sh Developer scripts to run server and tests without installation Nov 28, 2016
package-lock.json Encapsulated EBI footer and header, Sources page improvements Apr 29, 2019
requirements.txt update selenium version May 9, 2019
run_tests_no_install.sh run_tests_no_install add shebang to show command calling Dec 7, 2018
runtime.txt GLaDOS django settings inclusion and removal of unnecessary tests dir… Nov 24, 2016
setup.py Fix for incorrect read of requirements.txt Apr 18, 2018
works.json Fix bug when restoring sticky query from a saved state Feb 21, 2019

README.md

Travis

Build Status

Ghost Inspector

ChEMBL New UI (Basic)

ChEMBL New UI (Report Cards)

(ReportCards - Compound)

(ReportCards - Downloads)

I think we can put our differences behind us... for science...

Diagrams

Here you can find some informal diagrams that help to understand how some components work

Paginated Collections

Visualisations

Heatmap

Molecule Features Icons

Interface Icons and Logo

Design Components Page

https://www.ebi.ac.uk/chembl/beta/design_components/

Running it locally with Docker

This requires Docker installed and running. Copy and rename the minimal_dev_config file to configurations/config.yml, add the elasticsearch endpoint information. Then run the following command to create and start the instance:

$ docker-compose up

The entry point for the images is fireitup.sh file, there an instance of the service will be started listening on the port 8000.

Chemvue front (VueJS 3)

VueJS 3 requires its client which can be installed by running:

$ npm install -g @vue/cli

GLaDOS collectstatic function CONFIG_FILE_PATH=configurations/config.yml ./manage_glados_no_install.sh collectstatic --no-input will build and place chemvue static files on src/glados/v folder, which will be served by Django.

This process will fail if the configuration file is not present

In order to take advantage of VueJS's hot reload capabilities while developing, on chemvue dir run:

$ CONFIG_FILE_PATH=../configurations/config.yml npm start

To build the statics files run:

$ CONFIG_FILE_PATH=../configurations/config.yml npm run build
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