update docker file

IMI-COMBINE · Jun 24, 2024 · 68ebdfd · 68ebdfd
1 parent 100c014
commit 68ebdfd
Show file tree

Hide file tree

Showing 3 changed files with 1,499 additions and 1 deletion.
diff --git a/Dockerfile b/Dockerfile
@@ -25,6 +25,15 @@ COPY data $HOME/kg/data/
 COPY models/ $HOME/kg/models/
 COPY start-script.sh $HOME/kg/start-script.sh
 
+RUN apt-get install curl -y
+RUN curl  https://zenodo.org/api/records/3407840/files/chem_phys_rf.pkl -o $HOME/kg/models/chem_phys_rf.pkl -L
+RUN curl  https://zenodo.org/api/records/3407840/files/ecfp_rf.pkl -o $HOME/kg/models/ecfp_rf.pkl -L
+RUN curl  https://zenodo.org/api/records/3407840/files/erg_rf.pkl -o $HOME/kg/models/erg_rf.pkl -L
+RUN curl  https://zenodo.org/api/records/3407840/files/maccs_rf.pkl -o $HOME/kg/models/maccs_rf.pkl -L
+RUN curl  https://zenodo.org/api/records/3407840/files/maccs_xgboost.pickle.dat -o $HOME/kg/models/maccs_xgboost.pickle.dat -L
+RUN curl  https://zenodo.org/api/records/3407840/files/mhfp6_rf.pkl -o $HOME/kg/models/mhfp6_rf.pkl -L
+RUN curl  https://zenodo.org/api/records/3407840/files/rdkit_rf.pkl -o $HOME/kg/models/rdkit_rf.pkl -L
+
 RUN pip install --no-cache-dir -r requirements.txt \
     && chmod +x start-script.sh \
     && chown -R $USER:$USER $HOME \