Update pre-requirements.txt

pre-requirements.txt

@@ -1,25 +1,12 @@
-biopandas==0.4.1
-biopython==1.79
-e3nn==0.5.0
-jinja2==3.1.2
-joblib==1.2.0
-markupsafe==2.1.1
-mpmath==1.2.1
-networkx==2.8.7
-opt-einsum==3.3.0
-opt-einsum-fx==0.1.4
-packaging==21.3
-pandas==1.5.0
-scikit-learn==1.1.2
-scipy==1.9.1
-spyrmsd==0.5.2
-sympy==1.11.1
+pyg==0.7.1 --quiet
+pyyaml==6.0 --quiet
+scipy==1.7.3 --quiet
+networkx==2.6.3 --quiet
+biopython==1.79 --quiet
+rdkit-pypi==2022.03.5 --quiet
+e3nn==0.5.0 --quiet
 spyrmsd==0.5.2
-sympy==1.11.1
-numpy==1.23.1
-rdkit-pypi==2022.3.5
-numpy==1.23.1
-torch==1.12.1+cu113 
-torchvision==0.13.1+cu113 
-torchaudio==0.12.1
---extra-index-url https://download.pytorch.org/whl/cu113
+pandas==1.3.5
+biopandas==0.4.1
+torch==1.12.1+cu113
+-f https://data.pyg.org/whl/torch-1.12.1+cu113.html