fixing import efficiency

mims-harvard · Apr 22, 2024 · 811e603 · 811e603
1 parent 4cd0850
commit 811e603
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Showing 3 changed files with 5 additions and 5 deletions.
diff --git a/setup.py b/setup.py
@@ -2,7 +2,7 @@
 
 setup(
     name='spectrae',
-    version='1.0.1',    
+    version='1.0.2',    
     description='SPECTRA: The spectral framework for model evaluation',
     long_description=open('README.md').read(),
     long_description_content_type='text/markdown',
@@ -16,10 +16,7 @@
                       'torch', 
                       'scikit-learn',
                       'pandas',
-                      'tqdm',
-                      'cell-gears',
-                      'torch_geometric',
-                      'PyTDC'                   
+                      'tqdm',            
                       ],
 
     classifiers=[

diff --git a/tutorials/example_mol.ipynb b/tutorials/example_mol.ipynb
@@ -12,6 +12,8 @@
     "%matplotlib inline\n",
     "import matplotlib.pyplot as plt\n",
     "from tqdm import tqdm\n",
+    "#For this tutorial to work please make sure you have 'PyTDC' installed\n",
+    "#You can easily pip-install this package\n",
     "from tdc.single_pred import Tox\n",
     "from rdkit import Chem\n",
     "from rdkit import DataStructs\n",

diff --git a/tutorials/example_single_cell.ipynb b/tutorials/example_single_cell.ipynb
@@ -20,6 +20,7 @@
     "%matplotlib inline\n",
     "import matplotlib.pyplot as plt\n",
     "from tqdm import tqdm\n",
+    "# To run this tutorial please pip install cell-gears and torch_geometric if you do not already have these packages installed  \n",
     "from gears.pertdata import PertData\n",
     "from gears.gears import GEARS\n"
    ]