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ChemProject

ChemProject ChemFlow Presentation

What is ChemFlow ?

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Why chemometrics software?

Chemflow is free software available to as many people as possible.
It was designed with two objectives:

  • Support for teaching. Chemflow has been specially adapted to allow the application of the exercises proposed in Chemoocs. But it can be used by any chemometry teacher wishing to practice his students.
  • Support for research and development. Chemflow contains new, validated methods, compatible with the data format, which allows them to be implemented very quickly. We hope that Chemflow will thus become a benchmark for new methods. For this, we will need your feedback, whatever it is.

The advantages of ChemFlow

  • Web application dedicated to chemometry: free, open source, accessible through a browser and without command line
  • It uses an existing Galaxy engine, more used in bioinformatics:
    • an ergonomic interface
    • open source
    • a community
    • automates treatments, reproduce them, share them, publish them transparently
    • Public server (https://main.g2.bx.psu.edu/): free but with a limited quota
  • Import data in different formats: csv, mat, rdata, via a URL
  • Edit files: delete individuals and extract variables
  • Create interactive graphs
  • Builds on existing tools:
    • it uses the GalaxyProject engine and
    • existing chemometry methods developed in many languages ​​(R, Scilab, Octave / Matlab)
  • Apply conventional chemometry methods: PCA, PLSR, discrimination, etc.
  • Apply more advanced chemometry methods: calibration transfer, MCR-ALS, ICA, ACOM, EPO, etc.
  • Create, edit and execute workflows in graphical form
  • Share these worflows, its data, processing histories between ChemFlow users
  • Traceability of operations and scientific reproducibility

The advantages of a web application

  • No installation on your computer, your browser is enough!
  • You can log into your account from anywhere as long as you have an Internet connection.
  • You benefit from the computing power of the servers.
  • You get the same software version and the latest updates in real time.
  • Your data and your chemometric treatments are secure.

Some numbers

1000+ registered to date

Collaborative tools

  • Website: 1 working and this one communication
  • Account: etherpad Code repository: GitLab Framagit and GitLab INRAE
  • Google Account: Calendar, Drive,
  • Chem Project You Tube channel
  • Collaboration by the GEOC group: geoc@groupes.renater.fr
  • Mailing list: chemflow@chemproject.org
  • Resources: VM for development + France Grid for production

Content of the software

Chemflow contains the following methods, readable from the Firefox browser (updated):

Access

No installation, it's a web application. Just log on to https://vm-chemflow-francegrille.eu. Click on "you may create one" and fill in the fields. Ignore the message that talks about the activation link. And 1 minute later, log in with your credentials!
In case of problem, write to chemflow@chemproject.org with the subject of the message: "Chemflow - access request". Preferably, use your professional address and put in the body a small personalized message.
We recommend the Google-Chrome browser. The graphical display functions of ChemFlow are less ergonomic on Mozilla-Firefox or Internet-Explorer. The use of ChemFlow in other browsers has not been fully tested, we cannot guarantee its proper functioning.
If your browser displays a security certificate invalid warning, click on advanced and accept the connection or continue on this site.

Help

All the documentation for the tool is in English. To display another language, just use the machine translation available with the Chrome browser, in the menu bar of the ChemFlow tool (Galaxy), right click and choose the language. In general, if you need help using ChemFlow, feel free to ask questions at chemflow@chemproject.org
Sign in
A Chemflow account creation email has been sent to you by chemflow@chemproject.org.
From the User menu then Login, enter your email, then your password. Consult your public name and do not hesitate to change your password.
Notes:

  • Make sure to use a valid email address.
  • Due to data quotas and caring use, users
  • Please respect the CharterChemFlow user charter

Maintenance

Access to chemflow on the old server https://vm-chemflow.toulouse.inra.fr/ has not been accessible since July 2018.
To find your data prior to July 2018, contact chemflow@chemproject.org
Maintenance history:

  • Maintenance of the Genotoul server on Thursday, November 2, 2017 from 12 p.m. to 2 p.m.
  • Maintenance of the Genotoul server in July and August 2018.
  • Maintenance of the France Grille Strasbourg server from Tuesday July 30 1 p.m. until Thursday August 1 5 p.m. 2019.
  • Interruption of the RENATER network throughout eastern France which resulted in impossible access to chemflow from Wednesday, December 18, 4:30 a.m. to Thursday, December 19, 2019.
  • Access to chemflow is reachable normally after an update of the security certificate on 01/27/2020 2 p.m.
  • Maintenance of the France Grille Strasbourg server from Tuesday August 2, 2022 from 7 a.m. to 10 a.m.