Data

Tools

Indexes

Applications

Experiments

Open Source Science

chemotion_eln

Electronic Lab Notebook

https://github.com/complat/chemotion_eln

Science Score: 62.0%

This score indicates how likely this project is to be science-related based on various indicators:

  • ✓
    CITATION.cff file
    Found CITATION.cff file
  • ✓
    codemeta.json file
    Found codemeta.json file
  • ✓
    .zenodo.json file
    Found .zenodo.json file
  • ○
    DOI references
  • ○
    Academic publication links
  • ✓
    Committers with academic emails
    21 of 72 committers (29.2%) from academic institutions
  • ✓
    Institutional organization owner
    Organization complat has institutional domain (www.complat.kit.edu)
  • ○
    JOSS paper metadata
  • ○
    Scientific vocabulary similarity
    Low similarity (1.3%) to scientific vocabulary

Keywords

eln fair-data rdm smart-lab

Keywords from Contributors

interactive cheminformatics chemistry chemistry-development-kit microservices-architecture openbabel rdkit network-simulation hacking embedded
Last synced: 6 months ago · JSON representation ·

Repository

Electronic Lab Notebook

Basic Info
  • Host: GitHub
  • Owner: ComPlat
  • License: agpl-3.0
  • Language: JavaScript
  • Default Branch: main
  • Homepage: https://www.chemotion.net
  • Size: 66.3 MB
Statistics
  • Stars: 156
  • Watchers: 22
  • Forks: 62
  • Open Issues: 449
  • Releases: 61
Topics
eln fair-data rdm smart-lab
Created over 10 years ago · Last pushed 6 months ago
Metadata Files
Readme Changelog License Citation

README-DEV.md

Prepare installation

in config/ create - datacollectors.yml - database.yml - storage.yml

write temporary in run-ruby-dev.sh - rake db:create - rake db:schema:load

Installation

docker-compose -f docker-compose.dev.yml up

OR

docker-compose -f docker-compose.dev.yml up postgres app webpacker

Working inside app container

docker exec -it chemotion_eln-app-1 /bin/bash

Owner

  • Name: ComPlat - Compound Platform @ Karlsruhe Institute of Technology (KIT)
  • Login: ComPlat
  • Kind: organization
  • Location: Karlsruhe

Citation (CITATION.cff) 

cff-version: 1.2.0
message: "Please cite this software as specified in the 'preferred-citation' section below."
title: "Chemotion Electronic Lab Notebook (ELN)"
authors:
  - name: "Chemotion ELN contributors"
url: "https://github.com/ComPlat/chemotion_ELN"
preferred-citation:
  type: article
  authors:
  - family-names: "Tremouilhac"
    given-names: "Pierre"
  - family-names: "Nguyen"
    given-names: "An"
  - family-names: "Huang"
    given-names: "Yu-Chieh"
  - family-names: "Kotov"
    given-names: "Serhii"
  - family-names: "Lütjohann"
    given-names: "Dominic Sebastian"
  - family-names: "Hübsch"
    given-names: "Florian"
  - family-names: "Jung"
    given-names: "Nicole"
  - family-names: "Bräse"
    given-names: "Stefan"
  doi: "10.1186/s13321-017-0240-0"
  journal: "Journal of Cheminformatics"
  title: "Chemotion ELN: an Open Source electronic lab notebook for chemists in academia"
  issue: 1
  volume: 9
  year: 2017

Committers

Last synced: over 2 years ago

All Time
  • Total Commits: 3,813
  • Total Committers: 72
  • Avg Commits per committer: 52.958
  • Development Distribution Score (DDS): 0.842
Past Year
  • Commits: 321
  • Committers: 23
  • Avg Commits per committer: 13.957
  • Development Distribution Score (DDS): 0.754
Top Committers
Name Email Commits
PiTrem p****c@g****e 604
jasonych99 j****9@g****m 469
Paggy Huang p****g@k****u 275
Chia-Lin.Lin c****n@k****u 224
Serhii Kotov s****j@g****m 210
PiTrem p****c@k****u 203
Florian Hübsch fh@n****m 180
Marco Sehrer ms@n****m 176
Jan-Philipp Willem i****o@j****e 164
Fernando D'Agostino fd@n****m 155
An Nguyen c****1@g****m 126
an.nguyen a****n@k****u 114
An Nguyen q****3@k****u 105
jpotthoff j****f@k****d 101
Jochen Klar m****l@j****e 87
CamAnNguyen c****h@g****m 55
Lan Le b****5@g****m 44
Danny Truong a****2@g****m 42
Jan C. Brammer j****r@g****m 39
Johannes Haubold jh@m****m 28
Lan Le l****e@k****u 26
TasnimMehzabin T****n 23
dependabot[bot] 4****] 22
Mehreen Mansur m****r@g****m 22
Maximilian Kerp k****p@t****m 21
Adam Basha 5****0 20
yu-chieh.huang y****g@k****u 20
Matthias Döring md@m****m 18
An Nguyen c****h@g****m 17
Fabian Mauz f****z@i****e 16
and 42 more...
Committer Domains (Top 20 + Academic)
kit.edu: 18 megorei.com: 4 ninjaconcept.com: 4 ioc.kit.edu: 2 ipb-halle.de: 2 taktsoft.com: 2 adolinks.com: 1 julians-mbp.fritz.box: 1 it.edu: 1 luetjohann.com: 1 cortona.de: 1 yahoo.com.br: 1 jochenklar.de: 1 kit.eud: 1 jwillem.de: 1 gmx.de: 1

Issues and Pull Requests

Last synced: 6 months ago

All Time
  • Total issues: 231
  • Total pull requests: 407
  • Average time to close issues: 4 months
  • Average time to close pull requests: 29 days
  • Total issue authors: 56
  • Total pull request authors: 32
  • Average comments per issue: 0.5
  • Average comments per pull request: 1.74
  • Merged pull requests: 247
  • Bot issues: 0
  • Bot pull requests: 35
Past Year
  • Issues: 90
  • Pull requests: 235
  • Average time to close issues: 28 days
  • Average time to close pull requests: 15 days
  • Issue authors: 34
  • Pull request authors: 20
  • Average comments per issue: 0.41
  • Average comments per pull request: 2.03
  • Merged pull requests: 141
  • Bot issues: 0
  • Bot pull requests: 17
View more stats
Top Authors
Issue Authors
  • nicolejung (31)
  • JanCBrammer (22)
  • PiTrem (19)
  • schatzsc (12)
  • HSimek (12)
  • AnnettNFDI (11)
  • tilfischer (10)
  • MichaelOCI (10)
  • SylviaVanderheiden (10)
  • martin-held-hereon (9)
  • FabianMauz (8)
  • BenjaminGolub (7)
  • phuang26 (7)
  • ptrxyz (7)
  • SimoneGraessle (6)
Pull Request Authors
  • PiTrem (137)
  • maiwald (48)
  • dependabot[bot] (46)
  • adambasha0 (44)
  • ashwiniHerle (36)
  • TasnimMehzabin (33)
  • phuang26 (30)
  • JanCBrammer (29)
  • alizaib1217 (28)
  • headri (25)
  • beque (22)
  • haditariq (21)
  • baolanlequang (20)
  • FabianMauz (15)
  • JoachimTillessen (15)
Top Labels
Issue Labels
bug (104) feature (37) enhancement (13) urgent (11) greater code (4) confirmed (4) confirmation needed (3) ruby (2) javascript (2) discussion (1) wontfix (1) dependencies (1) question (1)
Pull Request Labels
dependencies (47) ruby (31) bug (19) javascript (17) enhancement (13) feature (6) urgent (1)

Dependencies

.github/workflows/ci.yml actions
  • actions/checkout v3 composite
  • ruby/setup-ruby v1 composite
  • zgosalvez/github-actions-report-lcov v1 composite
  • postgres * docker
docker-compose.dev.yml docker
  • postgres 14
docker-compose.test.yml docker
  • atmoz/sftp latest
  • busybox latest
  • complat/chemotion_eln latest
  • postgres 10.10
package.json npm
  • @babel/eslint-parser ^7.15.0 development
  • @babel/plugin-proposal-class-properties ^7.11.0 development
  • @babel/register ^7.11.5 development
  • @pmmmwh/react-refresh-webpack-plugin ^0.5.5 development
  • @webpack-cli/serve ^1.3.1 development
  • @wojtekmaj/enzyme-adapter-react-17 ^0.6.3 development
  • babel-loader ^8.2.2 development
  • cypress ^12.3.0 development
  • enzyme ^3.7.0 development
  • eslint ^8.20.0 development
  • eslint-config-airbnb ^19.0.4 development
  • eslint-filtered-fix ^0.3.0 development
  • eslint-plugin-import ^2.26.0 development
  • eslint-plugin-jsx-a11y ^6.6.1 development
  • eslint-plugin-no-relative-import-paths ^1.4.0 development
  • eslint-plugin-react ^7.30.1 development
  • expect ^24.7.1 development
  • mocha ^10.2.0 development
  • nyc ^15.1.0 development
  • process ^0.11.10 development
  • react-refresh ^0.12.0 development
  • redux-logger ^3.0.6 development
  • sinon ^15.2.0 development
  • webpack-cli ^4.2.0 development
  • webpack-dev-server ^4.8.1 development
  • @babel/core ^7.11.5
  • @babel/plugin-proposal-class-properties ^7.11.0
  • @babel/plugin-proposal-object-rest-spread ^7.11.0
  • @babel/plugin-transform-modules-commonjs ^7.13.8
  • @babel/polyfill ^7.10.4
  • @babel/preset-env ^7.11.0
  • @babel/preset-react 7.10.4
  • @citation-js/plugin-isbn 0.3.0
  • @complat/chem-spectra-client 1.0.0-rc16
  • @complat/react-spectra-editor 1.0.0-rc16
  • @material-ui/core ^4.12.4
  • @material-ui/icons ^4.11.3
  • @novnc/novnc ^1.2.0
  • @rails/ujs ^6.1.3-1
  • @rails/webpacker https://github.com/rails/webpacker.git
  • @sentry/react ^7.16.0
  • @sentry/tracing ^7.16.0
  • acorn ^5.7.0
  • ag-grid-community ^29.0.0
  • ag-grid-react ^29.0.0
  • alt 0.18.6
  • alt-utils 2.0.0
  • antd ^3.19.3
  • aviator v0.6.1
  • base-64 ^0.1.0
  • chem-generic-ui ^1.0.10
  • chemotion-converter-client 0.2.0
  • citation-js 0.6.8
  • classnames ^2.2.5
  • clipboard ^1.5.12
  • commonmark ^0.28.1
  • create-react-class ^15.6.3
  • d3 ^3.5.15
  • d3-selection ^3.0.0
  • deep-equal 1.0.1
  • es6-promise-debounce ^1.0.1
  • factory-bot ^6.3.1
  • html2pdf.js ^0.10.1
  • humps ^2.0.1
  • immutability-helper ^2.8.1
  • immutable ^4.0.0-rc.12
  • jcampconverter ^2.11.0
  • js-yaml ^3.13.1
  • jsdom ^22.1.0
  • lodash ^4.17.20
  • mobx ^6.6.0
  • mobx-react ^7.5.0
  • mobx-state-tree ^5.1.5
  • moment ^2.29.4
  • moment-precise-range-plugin ^1.2.4
  • normalizr ^3.3.0
  • npm ^8.11.0
  • numeral ^1.5.3
  • prop-types 15.6.2
  • qrcode.react ^0.6.1
  • quagga ^0.11.5
  • querystring-es3 ^0.2.1
  • quill ^1.3.7
  • quill-delta 3.4.3
  • quill-delta-to-html 0.8.2
  • raw-loader ^4.0.2
  • react ^17.0.2
  • react-async-script-loader 0.3.0
  • react-barcode ^1.1.0
  • react-big-calendar ^1.5.1
  • react-bootstrap ~0.33.1
  • react-color ^2.17.3
  • react-contextmenu ^2.14.0
  • react-cookie ^0.4.8
  • react-datepicker ~1.4.1
  • react-datetime-picker ^4.1.1
  • react-dnd ^14.0.3
  • react-dnd-html5-backend ^14.0.3
  • react-dom ^17.0.2
  • react-dom-factories ^1.0.0
  • react-draggable ^4.4.3
  • react-dropzone ^3.6.0
  • react-flow-renderer ^10.3.17
  • react-html-id ^0.1.5
  • react-inlinesvg 0.8.4
  • react-input-autosize 1.1.0
  • react-json-editor-ajrm ^2.5.10
  • react-markdown ^6.0.2
  • react-notification-system ^0.2.7
  • react-papaparse ^3.17.2
  • react-pdf ^5.3.0-beta
  • react-qr-reader ^2.1.0
  • react-redux ^7.2.4
  • react-select npm:react-select@1.1.0
  • react-select3 npm:react-select@^3.1.1
  • react-stickydiv ^3.4.19
  • react-svg-file-zoom-pan 0.1.5
  • react-svg-file-zoom-pan-latest npm:@complat/react-svg-file-zoom-pan@1.0.13
  • react-svg-inline ^1.2.0
  • react-treeview 0.4.7
  • react-ui-tree 3.1.0
  • react-virtualized-select 3.0.1
  • react-vis 1.9.3
  • reactflow ^11.7.2
  • redux ^4.1.0
  • redux-immutable ^4.0.0
  • redux-thunk ^2.0.0
  • sha256 ^0.2.0
  • spark-md5 ^3.0.1
  • svgedit ^7.3.0
  • uglify-js ~3.10.3
  • uglifyify ^5.0.2
  • util ^0.12.4
  • uuid ^3.3.2
  • whatwg-fetch ^3.6.2
  • xlsx ^0.17.0
  • yarn ^1.22.19
yarn.lock npm
  • 2072 dependencies
Gemfile rubygems
  • annotate >= 0 development
  • awesome_print >= 0 development
  • better_errors >= 0 development
  • binding_of_caller >= 0 development
  • bullet >= 0 development
  • byebug >= 0 development
  • capistrano >= 0 development
  • capistrano-bundler >= 0 development
  • capistrano-npm >= 0 development
  • capistrano-nvm >= 0 development
  • capistrano-rails >= 0 development
  • capistrano-rvm >= 0 development
  • capistrano-yarn >= 0 development
  • capybara >= 0 development
  • chronic >= 0 development
  • cypress-on-rails >= 0 development
  • database_cleaner >= 0 development
  • database_cleaner-active_record >= 0 development
  • debase >= 0 development
  • factory_bot_rails >= 0 development
  • faker >= 0 development
  • fast_stack >= 0 development
  • flamegraph >= 0 development
  • launchy >= 0 development
  • listen >= 0 development
  • memory_profiler >= 0 development
  • meta_request >= 0 development
  • pry-byebug >= 0 development
  • pry-rails >= 0 development
  • rspec >= 0 development
  • rspec-rails >= 0 development
  • rspec-repeat >= 0 development
  • rubocop >= 0 development
  • rubocop-performance >= 0 development
  • rubocop-rails >= 0 development
  • rubocop-rspec >= 0 development
  • ruby-debug-ide >= 0 development
  • ruby_jard >= 0 development
  • simplecov >= 0 development
  • simplecov-lcov >= 0 development
  • solargraph >= 0 development
  • spring >= 0 development
  • stackprof >= 0 development
  • web-console >= 0 development
  • webdrivers >= 0 development
  • webmock >= 0 development
  • aasm >= 0
  • activejob-status >= 0
  • activerecord-nulldb-adapter >= 0
  • ancestry >= 0
  • api-pagination >= 0
  • backup >= 0
  • barby >= 0
  • bcrypt_pbkdf >= 0
  • bibtex-ruby >= 0
  • bootsnap >= 0
  • bootstrap-sass >= 0
  • caxlsx >= 0
  • charlock_holmes >= 0
  • chem_scanner >= 0
  • closure_tree >= 0
  • countries >= 0
  • delayed_cron_job >= 0
  • delayed_job_active_record >= 0
  • devise >= 0
  • dotenv-rails >= 0
  • ed25519 >= 0
  • faraday >= 0
  • faraday-follow_redirects >= 0
  • faraday-multipart >= 0
  • font-awesome-rails >= 0
  • fun_sftp >= 0
  • fx >= 0
  • grape >= 0
  • grape-entity >= 0
  • grape-kaminari >= 0
  • grape-swagger >= 0
  • grape-swagger-entity >= 0
  • grape-swagger-rails >= 0
  • graphql >= 0
  • haml-rails >= 0
  • hashie-forbidden_attributes >= 0
  • httparty >= 0
  • icalendar >= 0
  • image_processing ~> 1.8
  • inchi-gem = 1.06.1
  • jquery-rails >= 0
  • jwt >= 0
  • kaminari >= 0
  • kaminari-grape >= 0
  • ketcherails >= 0
  • labimotion = 1.0.11
  • mimemagic = 0.3.10
  • net-scp = 3.0.0
  • net-sftp >= 0
  • net-ssh >= 0
  • nokogiri >= 0
  • omniauth ~> 1.9.1
  • omniauth-github ~> 1.4.0
  • omniauth-oauth2 ~> 1.7, >= 1.7.2
  • omniauth-orcid >= 0
  • omniauth-shibboleth >= 0
  • omniauth_openid_connect >= 0
  • openbabel = 2.4.90.3
  • pandoc-ruby >= 0
  • paranoia >= 0
  • pg >= 0
  • pg_search >= 0
  • prawn >= 0
  • prawn-svg >= 0
  • puma < 6.0.0
  • pundit >= 0
  • rack >= 0
  • rack-cors >= 0
  • rails ~> 6.1.7.3
  • rdkit_chem >= 0
  • rinchi-gem = 1.0.1
  • rmagick >= 0
  • roo >= 0
  • rqrcode >= 0
  • rtf >= 0
  • ruby-geometry >= 0
  • ruby-mailchecker >= 0
  • ruby-ole >= 0
  • sablon >= 0
  • sassc-rails >= 0
  • scenic >= 0
  • schmooze >= 0
  • semacode >= 0
  • sentry-rails >= 0
  • sentry-ruby >= 0
  • shrine ~> 3.0
  • sys-filesystem >= 0
  • thor >= 0
  • thumbnailer >= 0
  • turbo-sprockets-rails4 >= 0
  • tzinfo-data >= 0
  • webpacker >= 0
  • whenever >= 0
  • yaml_db >= 0
Gemfile.lock rubygems
  • 316 dependencies