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

A gRPC service to generate SMILES using MegaMolBART model.

LayerLabelCreated
e6531317a5608cc0340ff009355d342d26c3fc6081d55ddc006a1eb56bccd05cRUN
/bin/bash
08/19/2021 6:21 PM UTC
bc9d3d0ac36543c417839630fa80eb752edd335b9ee201cdfaf9c3f69482e7f5RUN
/bin/bash -c #(nop) COPY dir:1095b23431170855837625f8a5b14d2729f7f41b1be6ba04009adcd41efb7dde in /opt/nvidia/megamolbart/
08/19/2021 6:21 PM UTC
d9bb989dd7b418838b89e89f91527f4d6d257e22acf074c216d478784e743717RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/nvidia/cuchem/grpc:/opt/MolBART/megatron_molbart:/opt/MolBART
08/19/2021 6:21 PM UTC
798a81277623b2d64d3fc1de4a361f3b95534a6007fa6630018f6b03e7dfe7a7RUN
/bin/bash -c #(nop) COPY dir:0f60c2833297beb187dac67875af57348cc7a0feccdedef35173c008fe738713 in /opt/nvidia/cuchem/grpc
08/19/2021 6:21 PM UTC
23a01e19f1948a0332e9be3c1e7430611ad665b44825fe3441839bce223b7135RUN
/bin/bash -c mkdir -p /opt/nvidia/cuchem/grpc
08/19/2021 6:21 PM UTC
2361488af26746805c7e3d2ae424bbc0e1760d961e5d0bcc41a5f6506907b7ecRUN
/bin/bash -c cd /tmp/common; pip install .
08/19/2021 6:21 PM UTC
c6292b960398c8ca8734cff40ca2f216824e3112ff914e6702839e830cb87366RUN
/bin/bash -c #(nop) COPY dir:21c6df9ac2ca75711658aecd1cad83139012b4af12c1b2ba3d54ae381d4735f3 in /tmp/common
08/19/2021 6:21 PM UTC
0e0f85c8ddc3da0641fe95ac28f1b992f2b10fb57da0f562fc5bdfcba37e62b0RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/MolBART/megatron_molbart:/opt/MolBART
08/19/2021 6:21 PM UTC
9416bb0d0931508ab233fbacc97cf712fb3ae3ff8fde5b5a83f99e7395aa3180RUN
/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
4b3d399ca9b8f660e2f27c51585e76069767216f76ac25284122ebbf30136a16RUN
/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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