MIT
DiffDock
Container
MIT
DiffDock

Diffdock predicts the 3D structure of the interaction between a molecule and a protein.

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4CMD
    10/24/2024 7:43 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/bin/sh" "-c" "exec \"$SERVER_START_SCRIPT_PATH\""]
    10/24/2024 7:43 PM UTC
    sha256:7444c20bf6c821f13377e0935a787df0f82dc0e1c32daecb100e0c2896c423aaRUN
    RUN /bin/sh -c touch $SERVER_START_SCRIPT_PATH &&
      chmod a+rx $SERVER_START_SCRIPT_PATH &&
      cat > $SERVER_START_SCRIPT_PATH <<-EOF #!/usr/bin/env bash set -eu # SPDX-FileCopyrightText: Copyright (c) 2024 NVIDIA CORPORATION & AFFILIATES. All rights reserved. # SPDX-License-Identifier: LicenseRef-NvidiaProprietary start_server EOF # buildkit
    10/24/2024 7:43 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    10/24/2024 7:43 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    10/24/2024 7:43 PM UTC
    sha256:f3d2b2ee99e3db5a1dc4901ea41310b68318d894f561931c4404b4d59f526069RUN
    groupadd --gid 1000 --non-unique nvs &&
      useradd --create-home --shell /usr/sbin/nologin --uid 1000 --non-unique --gid 1000 nvs &&
      chown 1000.1000 $NIM_DIR_PATH
    10/24/2024 7:43 PM UTC
    sha256:915692ff1c791018db3bcd499235ccaf89ba31e48fded6dce725b8b6d30b5b50COPY
    ./inference.py ./LICENSE ./VERSION /opt/nim
    10/24/2024 7:43 PM UTC
    sha256:704155d885dc966883a53ae81895c5ef87d04a0bceb76941288a5ab970b2fb16COPY
    ./data_models.py /opt/nim
    10/24/2024 7:43 PM UTC
    sha256:4f4fb700ef54461cfa02571ae0db9a0dc1e0cdb5577484a6d75e68dc38e8acc1WORKDIR
    /opt/nim
    10/24/2024 7:43 PM UTC
    sha256:f8711a485f51fb3ef3a303fa9bdbfd71f785473bde937e588d7aceecd0f10342RUN
    nim_dependency_handler
    10/24/2024 7:43 PM UTC
    ...

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