Patrick Walters PatWalters
PatWalters
/ label_leash_data.ipynb
Created
October 12, 2024 00:58
Label the test set from the Leash Bio Kaggle challenge by library
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PatWalters
/ bindingdb_inchikey.ipynb
Created
October 8, 2024 00:36
Using InChI keys to find cases where the same molecule is present in different charge states
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PatWalters
/ bitbirch_test.ipynb
Last active
August 23, 2024 23:10
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PatWalters
/ random_hexapeptides.ipynb
Created
May 29, 2024 17:42
A simple example showing how to generate random hexapeptides
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PatWalters
/ bootstrap_AUC.ipynb
Created
April 7, 2024 17:24
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PatWalters
/ Compare_PROTACs_and_Drugs.ipynb
Created
April 7, 2024 17:07
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PatWalters
/ reinvent_ring_system_check.ipynb
Created
April 3, 2024 23:15
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PatWalters
/ distribution_demo.ipynb
Created
December 3, 2023 01:10
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PatWalters
/ astartes_test_v2.ipynb
Created
November 23, 2023 01:55
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PatWalters
/ astartes_test.ipynb
Created
November 22, 2023 22:01
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