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Dlux804 / McQuade-Chem-ML

Development of easy to use and reproducible ML scripts for chemistry.
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Andres neo4j #27

Closed andreshyer closed 4 years ago

andreshyer commented 4 years ago

Branch to interact with neo4j with python, using the bulk chemical data as a starting place.

I did not touch any of the previous scripts, so this pull request should not break any of our code. But, please check and make sure that nothing important broke.

Dlux804 commented 4 years ago

@andreshyer What is the status of this PR?

Are all of Kaitlins CSV files necessary? Is there a more effecient way to provide that info? Please do not spend too much time on her data -- it's hairy and not a priority for our team.

andreshyer commented 4 years ago

@andreshyer What is the status of this PR?

Are all of Kaitlins CSV files necessary? Is there a more effecient way to provide that info? Please do not spend too much time on her data -- it's hairy and not a priority for our team.

I believe I am still waiting for approve before being able to merge the pull request. The files are definitely not necessary, I have it there if I ever have free time and do not know what else to do, which seems unlikely. The files will be removed, and I can update the pull request. If I ever get around to adding her files to a GB, I can update the repo with the script to do so. If we still wanted the files on a database, we can move them to dropbox.

Dlux804 commented 4 years ago

@andreshyer Andres, please update the code with the documentation/explanation requested by @qle2. I agree with your suggestion of moving Kaitlin's files from here and making a folder on dropbox for them which we can access later if the need arises.

Also please add a README.md to the Neo4j/ or BulkChem/ directory explaining at a high level what is going on and how to get started working with the code (i.e any particular installation instructions, organization of the files, etc.)

Once this is done, please update this PR and notify @qle2 to review your branch.

andreshyer commented 4 years ago

I am closing this pull request, as branch needs further work before merging

andreshyer commented 4 years ago

@andreshyer Andres, please update the code with the documentation/explanation requested by @qle2. I agree with your suggestion of moving Kaitlin's files from here and making a folder on dropbox for them which we can access later if the need arises.

Also please add a README.md to the Neo4j/ or BulkChem/ directory explaining at a high level what is going on and how to get started working with the code (i.e any particular installation instructions, organization of the files, etc.)

Once this is done, please update this PR and notify @qle2 to review your branch.

Will do, will update when work is complete