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update prody installation
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DockM8_Installation_Guide.pdf

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setup_py310.sh

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@@ -64,7 +64,7 @@ echo -e """
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# check if conda is installed, and install miniconda3 if not
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# if conda is not a recognised command then download and install
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if ! command -v conda &> /dev/null; then
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if ! (source ~/.bashrc && command -v conda &> /dev/null); then
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echo -e "No conda found - installing..."
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mkdir -p $HOME/miniconda3
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###############################################################
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"""
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pip install pymesh espsim oddt biopandas redo MDAnalysis==2.0.0 prody==2.1.0 Pebble tensorflow==2.15 keras==2.15 meeko posebusters streamlit -q
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pip install pymesh espsim oddt biopandas redo MDAnalysis==2.0.0 Pebble tensorflow==2.15 keras==2.15 meeko posebusters streamlit -q
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pip3 install torch==2.2.0 torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu -q
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pip install torch_scatter torch_sparse torch_spline_conv torch_cluster torch_geometric -q
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pip install dgl -f https://data.dgl.ai/wheels/torch-2.2/repo.html -q
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pip install prody
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echo -e """
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###############################################################
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# Finished installing pip packages

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