Giter Club home page Giter Club logo

chemdata's Introduction

Hi, I'm Fabian ๐Ÿ‘‹

I'm a Ph.D student at the Institute of Computational Physics | University of Stuttgart working in the field of Machine Learning, primarily on Neural Network Potentials for molecular dynamics simulations.

Your Repository's Stats

๐Ÿ”ญ As a core member of zincware, I'm mostly developing Software for the scientific community. Some of the projects I'm currently working on are

  • ZnTrack - Create, visualize, run & benchmark DVC pipelines in Python & Jupyter notebooks.
  • MDSuite - A post-processing engine for particle simulations.
  • ZnDraw - Visualize and Edit Molecular Structures.
  • ZnH5MD - High Performance Interface for H5MD Trajectories.
  • ZnFlow - General Purpose Framework for Computational Graphs.
  • ZnJSON - Package to Encode/Decode some common file formats to json.

chemdata's People

Contributors

kirewx avatar pythonfz avatar

Watchers

 avatar  avatar

chemdata's Issues

Workgroup access should be restricted

If you select your workgroup on registration, you can directly see everything that is available in this workgroup.
Workgroups should have the possibility, to require conformation.

Suggestion:
Add a new boolean entry to the profile and the workgroup.
On the profile make it "verified", which the admin can set.
On the workgroup make it "verified_required" or something like that

Add categories

Allow samples to be put in user defined categories, e.g. Katalysts, Solvents, ...

Remove Header line

Remove "Home", "Chemical Manager", Blog, About in favour of manage storage, add chemical, list view, ....

Migration Issues

I recently also encountered the migration issues:

What solved them temporarly was:

python manage.py makemigrations users
python manage.py makemigrations chemmanager

python manage.py migrate

Mobile view

Some issues with the mobile view:

  1. Button at the navbar (three bars) not clickable.
    image

  2. Not scrollable to the bottom (chemical structure can't be seen)

  3. Structure always at the bottom

Search with (+) has issues

Look at http://127.0.0.1:8000/5444/?q=(+)-2-Bromopentane does not work, should be something like http://127.0.0.1:8000/chemmanager/?q=%28%2B%29-2-Bromopentane

Add GitHub Link somewhere

We might want to add a link to this repository somewhere. And we could consider creating a discord in the future

image

remove everything related to blog

chemmanager/templates/chemmanager/blog_home.html
chemmanager/views.py containing def blog
base.html Line 43, ChemData-Blog
chemicaltable_list.html extends blog/base.html
home.html Line 11 url "blog-home"

settings.py: LOGIN_REDIRECT_URL = 'blog-home'

Recommend Projects

  • React photo React

    A declarative, efficient, and flexible JavaScript library for building user interfaces.

  • Vue.js photo Vue.js

    ๐Ÿ–– Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.

  • Typescript photo Typescript

    TypeScript is a superset of JavaScript that compiles to clean JavaScript output.

  • TensorFlow photo TensorFlow

    An Open Source Machine Learning Framework for Everyone

  • Django photo Django

    The Web framework for perfectionists with deadlines.

  • D3 photo D3

    Bring data to life with SVG, Canvas and HTML. ๐Ÿ“Š๐Ÿ“ˆ๐ŸŽ‰

Recommend Topics

  • javascript

    JavaScript (JS) is a lightweight interpreted programming language with first-class functions.

  • web

    Some thing interesting about web. New door for the world.

  • server

    A server is a program made to process requests and deliver data to clients.

  • Machine learning

    Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.

  • Game

    Some thing interesting about game, make everyone happy.

Recommend Org

  • Facebook photo Facebook

    We are working to build community through open source technology. NB: members must have two-factor auth.

  • Microsoft photo Microsoft

    Open source projects and samples from Microsoft.

  • Google photo Google

    Google โค๏ธ Open Source for everyone.

  • D3 photo D3

    Data-Driven Documents codes.