xythyl/chemicals_project

Chemicals Project

Chemical Mixer

chemical-mixer dependiencies:

python3, flask, pubchempy, wolframalpha

How to use chemical-mixer:

Open the "chemical-mixer" folder and install dependencies. Run

main.py

Then open up 127.0.0.1:5000 in the browser. Input a PubChem CID to search. When each each search bar has a PubChem CID, the "Mix" button can be selected. There is a short wait as the the server makes an api call to wolframalpha. Sometimes this has a chance to give an error even if the chemicals can successfully be mixed. The solution is to select "Mix" again.

Chemical Visualiszer

How to use chemical-visualizer

Open the "chemical-visualizer" folder, then open "index.html" in your browser. This is just a demo of two hydrogen atoms.

JSON Scraper

JSON Scraper dependencies:

python3, pubchempy, flask

How to use JSON Scraper

Open the "json-scraper" folder. Add PubChem CIDs to "list_of_cids" in "scrape.py." There are some already there to test out the functionality. Run

./scrape.py

This should create a file, "test.json" that has the information of the chemicals stored in a JSON file.

Multi PDF Parser

Dependencies:

python, pdfminer

Requires a specific version of pdfminer to be installed.

sudo pip install --upgrade --ignore-installed slate==0.3 pdfminer==20110515

How to use:

Open the "multi-pdf-parser" folder. Create two folders, 'pdfs' and 'txt'. Place PDFs you need to be converted into the folder 'pdfs'. After running

./output.py

you should see the converted txt files in 'txt.'