Skip to content

Commit 2e128f0

Browse files
committed
Update interaction analysis notebook formatting
1 parent 5f608ed commit 2e128f0

1 file changed

Lines changed: 4 additions & 6 deletions

File tree

notebooks/dataset_interaction_analysis_plotting.ipynb

Lines changed: 4 additions & 6 deletions
Original file line numberDiff line numberDiff line change
@@ -195,12 +195,10 @@
195195
" # cd ../../notebooks/\n",
196196
" # NOTE: Now, you should have a PDBBind data directory structure that looks like this: `../data/pdbbind/PDBBind_processed/`\n",
197197
"\n",
198-
" pdbbind_train_ids = set(\n",
199-
" pd.read_csv(\n",
200-
" os.path.join(os.path.dirname(pdbbind_set_dir), \"timesplit_no_lig_overlap_train\"),\n",
201-
" header=None,\n",
202-
" ).values.tolist()\n",
203-
" )\n",
198+
" with open(\n",
199+
" os.path.join(os.path.dirname(pdbbind_set_dir), \"timesplit_no_lig_overlap_train\")\n",
200+
" ) as f:\n",
201+
" pdbbind_train_ids = set(f.read().splitlines())\n",
204202
"\n",
205203
" pdbbind_train_set_dirs = [\n",
206204
" item for item in os.listdir(pdbbind_set_dir) if item in pdbbind_train_ids\n",

0 commit comments

Comments
 (0)