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simonduerr commited on
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eba98ca
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1 Parent(s): 480b5c5

Update Dockerfile

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  1. Dockerfile +2 -1
Dockerfile CHANGED
@@ -8,7 +8,8 @@ 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 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 git+https://github.com/acellera/moleculekit.git
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  RUN git clone https://github.com/rlabduke/reduce.git && cd reduce && make && make install
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