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  • NVIDIA
    MegaMolBART gPRC Service v0.1
    Container
    NVIDIA
    MegaMolBART gPRC Service v0.1

    A gRPC service to generate SMILES using MegaMolBART model.

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
    /bin/bash -c #(nop) CMD ["/bin/bash" "-c" "cd /opt/nvidia/megamolbart && python3 launch.py"]
    		08/19/2021 6:21 PM UTC
    sha256:2dc5de05ebac3325ddc311ced89afbd6b1e3e309f625ca0f37663bcad9b2db6fRUN
    /bin/bash -c #(nop) COPY dir:1095b23431170855837625f8a5b14d2729f7f41b1be6ba04009adcd41efb7dde in /opt/nvidia/megamolbart/
    		08/19/2021 6:21 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
    /bin/bash -c #(nop) ENV PYTHONPATH=/opt/nvidia/cuchem/grpc:/opt/MolBART/megatron_molbart:/opt/MolBART
    		08/19/2021 6:21 PM UTC
    sha256:b506fb6f5d34aec154fa9097a001c7c07e17aa090f36880e290a0fbb710e3ee5RUN
    /bin/bash -c #(nop) COPY dir:0f60c2833297beb187dac67875af57348cc7a0feccdedef35173c008fe738713 in /opt/nvidia/cuchem/grpc
    		08/19/2021 6:21 PM UTC
    sha256:5366dc4a6c8c222670af0bbc5df763fa28891041cbe715e34155ccc3c31aacb6RUN
    /bin/bash -c mkdir -p /opt/nvidia/cuchem/grpc
    		08/19/2021 6:21 PM UTC
    sha256:0e0d0fd00b2b02c815be69bc8590d3da753b58b696f40f6cab7d8dcea7a82addRUN
    /bin/bash -c cd /tmp/common; pip install .
    		08/19/2021 6:21 PM UTC
    sha256:5e53ecd5a15458b74a5624115f4648be838da4338f6abb82f398eed4b8c87537RUN
    /bin/bash -c #(nop) COPY dir:21c6df9ac2ca75711658aecd1cad83139012b4af12c1b2ba3d54ae381d4735f3 in /tmp/common
    		08/19/2021 6:21 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
    /bin/bash -c #(nop) ENV PYTHONPATH=/opt/MolBART/megatron_molbart:/opt/MolBART
    		08/19/2021 6:21 PM UTC
    sha256:91047a24117d5ab9f2d320c0260ce6ea7d38043e0939411605560f2651a5a05eRUN
    /bin/bash -c git clone https://github.com/MolecularAI/MolBART.git --branch megatron-molbart-with-zinc /opt/MolBART &&
  cd /opt/MolBART/megatron_molbart/Megatron-LM-v1.1.5-3D_parallelism &&
  pip install . &&
  cd /opt/MolBART; pip install .
    		08/19/2021 6:21 PM UTC
    sha256:a840b92c5ab8843158263fb342a31d7cb097d98a5ab132cef817e183819f9d59RUN
    /bin/bash -c git clone https://github.com/MolecularAI/pysmilesutils.git --branch master /opt/pysmilesutils &&
  cd /opt/pysmilesutils; pip install .
    		08/19/2021 6:21 PM UTC
    ...

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