Code

Release sage 2.0.0#418

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Merged

jaclark5 merged 11 commits intomasteropenforcefield/qca-dataset-submission:masterfrom release_sage_2.0.0openforcefield/qca-dataset-submission:release_sage_2.0.0Copy head branch name to clipboardDec 18, 2024

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Commits

Commits on Dec 12, 2024

• Initial files

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  9263334

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Commits on Dec 13, 2024

• Generate dataset descriptive files

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  b7bdc14

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• Update method to use requests to pull relevant file from github

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  e1bfb89

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• Update files after running with RDKit

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• Update README table

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Commits on Dec 16, 2024

• Add openeye installation to instructions

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  8b2dfb0

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• Address dataset formatting feedback

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Commits on Dec 17, 2024

• Use OpenEyeToolkit

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• Run black, clean up generate-combined-dataset file

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Commits on Dec 18, 2024

• Added forcefield table

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  2b3de02

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• Update repo README table

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  39351b7

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