jglaser commited on
Commit
e54bc8a
·
1 Parent(s): 6256d39

remove index column

Browse files
data/pdbbind_with_contacts.parquet CHANGED
@@ -1,3 +1,3 @@
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  version https://git-lfs.github.com/spec/v1
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- oid sha256:e5b1d9797064391210ff21a2d91e9a3a87fce19870bd3da3b44c6646a47d54e3
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- size 16015367
 
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  version https://git-lfs.github.com/spec/v1
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+ oid sha256:308b9775a25728eed0e3687cc1741f9a50d1a6392ec073157822990006ba763a
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+ size 16006189
pdbbind.ipynb CHANGED
@@ -496,12 +496,12 @@
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  },
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  {
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  "cell_type": "code",
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- "execution_count": 39,
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  "id": "c9d674bb-d6a2-4810-aa2b-e3bc3b4bbc98",
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  "metadata": {},
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  "outputs": [],
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  "source": [
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- "df_all_contacts.drop(columns=['name','affinity_quantity']).astype({'affinity': 'float32'}).to_parquet('data/pdbbind_with_contacts.parquet')"
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  ]
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  },
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  {
 
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  },
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  {
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  "cell_type": "code",
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+ "execution_count": 40,
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  "id": "c9d674bb-d6a2-4810-aa2b-e3bc3b4bbc98",
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  "metadata": {},
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  "outputs": [],
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  "source": [
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+ "df_all_contacts.drop(columns=['name','affinity_quantity']).astype({'affinity': 'float32','neg_log10_affinity_M': 'float32'}).to_parquet('data/pdbbind_with_contacts.parquet')"
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  ]
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  },
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  {