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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
ff35aa409e53b95c7dc9abccaab7534a70ff32c4b6909f3ed2717138af808498RUN
/bin/bash
09/07/2021 5:59 PM UTC
6fdb4e3a4b00aee0bcb1bf2ca16d719664cbef02e64aa98cdcd6fbc5aca66b4eRUN
/bin/bash -c #(nop) COPY dir:a59f67a73fabd4b43e3f00c42e46b5df4abe843edba8627113e4fcbd9b69a1c7 in /opt/nvidia/megamolbart/
09/07/2021 5:59 PM UTC
1215c972382a8f3c317d90e192b6280edfe432c8f17aee71bac4cbf121cbbb79RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/nvidia/cuchem/grpc:/opt/MolBART/megatron_molbart:/opt/MolBART
09/07/2021 5:59 PM UTC
1c20a4b9c64d8ddd559c6c562cd0984f15aaa48f602cfcfb8e7e0ba372b5ac3bRUN
/bin/bash -c #(nop) COPY dir:4b9326213662e4ee0facc87f8fc851c83f29acc5e6950344caf19ad7c753163e in /opt/nvidia/cuchem/grpc
09/07/2021 5:59 PM UTC
36fa53abc1bcd28a6ee1b2399e413cd543a6e9acc28f43308ff224f2a8dc1872RUN
/bin/bash -c mkdir -p /opt/nvidia/cuchem/grpc
09/07/2021 5:58 PM UTC
ef5abc2855221aa8647b96cf6831ae8992ceb097b903e98d6fee918136864389RUN
/bin/bash -c cd /tmp/common; pip install .
09/07/2021 5:58 PM UTC
c992b97f3f8ae2e7116f41746eb4db63b30aa84829258873ba58f2b10091b54aRUN
/bin/bash -c #(nop) COPY dir:28560194446a062d1934b7fa88e40dd35b8541354fa0ed358741ffd2b648bb0d in /tmp/common
09/07/2021 5:58 PM UTC
7a998338d2483526983c4391d45a7e6ae0829938bdd3eeea06409d14b6760ba6RUN
/bin/bash -c #(nop) ENV PYTHONPATH=/opt/MolBART/megatron_molbart:/opt/MolBART
09/07/2021 5:58 PM UTC
0ac0aee1b497b7848e84ebeb9ee168b276a1269f2f60a60d3be54b8ab4e3d8bcRUN
/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
ebbde1bccd314457eac19f6d97be0571ce7120f611827cfe253af0144798ff78RUN
/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
...