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simonduerr commited on
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9286953
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1 Parent(s): bfe2f69

Update Dockerfile

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  1. Dockerfile +1 -1
Dockerfile CHANGED
@@ -10,7 +10,7 @@ COPY . .
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  RUN pip3 install rdkit==2023.9.6 pandas==2.1.4 posebusters==0.2.7
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  RUN pip3 install gradio gradio_molecule3d
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  RUN pip3 install setuptools --upgrade
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- RUN pip3 install moleculekit
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  RUN git clone https://github.com/rlabduke/reduce.git && cd reduce && make && make install
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  RUN pip3 install rdkit==2023.9.6 pandas==2.1.4 posebusters==0.2.7
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  RUN pip3 install gradio gradio_molecule3d
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  RUN pip3 install setuptools --upgrade
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+ RUN pip3 install moleculekit==1.6.1
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  RUN git clone https://github.com/rlabduke/reduce.git && cd reduce && make && make install
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