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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
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
/bin/bash -c #(nop) CMD ["/bin/bash" "-c" "cd /opt/nvidia/megamolbart && python3 launch.py"]
09/07/2021 5:59 PM UTC
sha256:7819d180d5d68e8ef8634a44c46211af13285696cbe2b62ec8d47796eaa5fae5RUN
/bin/bash -c #(nop) COPY dir:a59f67a73fabd4b43e3f00c42e46b5df4abe843edba8627113e4fcbd9b69a1c7 in /opt/nvidia/megamolbart/
09/07/2021 5:59 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/nvidia/cuchem/grpc:/opt/MolBART/megatron_molbart:/opt/MolBART
09/07/2021 5:59 PM UTC
sha256:dc0f97ba735da7e948c07e87698d40921d43553b0ff5124ec9000277bca7b89cRUN
/bin/bash -c #(nop) COPY dir:4b9326213662e4ee0facc87f8fc851c83f29acc5e6950344caf19ad7c753163e in /opt/nvidia/cuchem/grpc
09/07/2021 5:59 PM UTC
sha256:5e5fb8be33a0de2988671552fc1a5c43f8628d314b4865af0a62b1b5ad3f8f8bRUN
/bin/bash -c mkdir -p /opt/nvidia/cuchem/grpc
09/07/2021 5:58 PM UTC
sha256:acb4cc87111042dd48bf8050153c373b4c736f9832fff8d9364fcdf1494b31d3RUN
/bin/bash -c cd /tmp/common; pip install .
09/07/2021 5:58 PM UTC
sha256:ae499ff0ae2fa8aaf389c10bed82cefb91f9ae53bb130d59b699c13f21997bd1RUN
/bin/bash -c #(nop) COPY dir:28560194446a062d1934b7fa88e40dd35b8541354fa0ed358741ffd2b648bb0d in /tmp/common
09/07/2021 5:58 PM UTC
sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/MolBART/megatron_molbart:/opt/MolBART
09/07/2021 5:58 PM UTC
sha256:beec95436604801ca26b838b2031db31f1d94b1e403a5b468ebcf2af60a37492RUN
/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 .
09/07/2021 5:58 PM UTC
sha256:8d37eb81f31bf3af0639e59715db515689c6a81a4204c70c647be733a86607e9RUN
/bin/bash -c git clone https://github.com/MolecularAI/pysmilesutils.git --branch master /opt/pysmilesutils &&
  cd /opt/pysmilesutils; pip install .
09/07/2021 5:56 PM UTC
...

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