Code

useability updates#8

Code

Merged

brendenpelkie merged 25 commits intomainpozzo-research-group/designspacediscovery:mainfrom devpozzo-research-group/designspacediscovery:devCopy head branch name to clipboardMar 9, 2023

+1,072-59

Commits

Commits on Feb 23, 2023

• checkpoint

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  be46bad

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• yapfify code

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  51adce4

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• add test for molecular properties

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Commits on Feb 24, 2023

• added pubchem vendor query function and working on incorporating molbloom

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  48cc2eb

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• save

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  aedf023

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• add most vendor finding functionality

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  4bf865b

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• updated similarity return value, now update test

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  e4b9b37

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Commits on Feb 28, 2023

• made some bug fixes to get it to run in the wild. Test probably broken

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• vendor search bug fixes and caching support for long-running serial queries

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Commits on Mar 7, 2023

• streamlit demo

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  5d5b0a7

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• move files

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  98e6a37

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• update streamlit app

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• test images

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• test ap

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• filepath test

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• more testing

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• point to s3 url

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  63a4bc6

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• add comment

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  e7e6714

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• change chart size

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  b4af304

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• change chart size

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  6eb3d5d

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• remove static files

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  7eebcec

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• clean up utils

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• update gitignore

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  bc5a847

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• cleaned up various warnings and aesthetic issues

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Commits on Mar 9, 2023

• fixed test suite, everything should work (and pass) now

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