File tree Expand file tree Collapse file tree 2 files changed +4
-2
lines changed Expand file tree Collapse file tree 2 files changed +4
-2
lines changed Original file line number Diff line number Diff line change @@ -64,7 +64,7 @@ echo -e """
64
64
# check if conda is installed, and install miniconda3 if not
65
65
66
66
# if conda is not a recognised command then download and install
67
- if ! command -v conda & > /dev/null; then
67
+ if ! (source ~ /.bashrc && command -v conda & > /dev/null) ; then
68
68
69
69
echo -e " No conda found - installing..."
70
70
mkdir -p $HOME /miniconda3
@@ -139,14 +139,16 @@ else
139
139
###############################################################
140
140
" " "
141
141
142
- 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
142
+ pip install pymesh espsim oddt biopandas redo MDAnalysis==2.0.0 Pebble tensorflow==2.15 keras==2.15 meeko posebusters streamlit -q
143
143
144
144
pip3 install torch==2.2.0 torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu -q
145
145
146
146
pip install torch_scatter torch_sparse torch_spline_conv torch_cluster torch_geometric -q
147
147
148
148
pip install dgl -f https://data.dgl.ai/wheels/torch-2.2/repo.html -q
149
149
150
+ pip install prody
151
+
150
152
echo -e " " "
151
153
###############################################################
152
154
# Finished installing pip packages
You can’t perform that action at this time.
0 commit comments