MIT
DiffDock
Container
MIT
DiffDock

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

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4CMD
    12/11/2024 7:02 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/bin/sh" "-c" "exec \"$SERVER_START_SCRIPT_PATH\""]
    12/11/2024 7:02 PM UTC
    sha256:dd7c806fb5c17883c59386dfe9bae703ab34b074f7b3e05daebb9e340e288d05RUN
    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
    12/11/2024 7:02 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    12/11/2024 7:02 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    12/11/2024 7:02 PM UTC
    sha256:aedc404d54dd8590aa6bd9ab87e76bb82962311f83aeb9145cccb96af88c5ac3RUN
    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
    12/11/2024 7:02 PM UTC
    sha256:2441873603106d00e1c2132d3886576210f2434794a33cd218a7712da9a3cf66COPY
    ./inference.py ./LICENSE ./VERSION /opt/nim
    12/11/2024 7:02 PM UTC
    sha256:94b0340a5835de21f1d6f16ab57fd54392d969ad1256dfdbd3270c3f196e831dCOPY
    ./data_models.py /opt/nim
    12/11/2024 7:02 PM UTC
    sha256:4f4fb700ef54461cfa02571ae0db9a0dc1e0cdb5577484a6d75e68dc38e8acc1WORKDIR
    /opt/nim
    12/11/2024 7:02 PM UTC
    sha256:cff7229824eaa8abf531910df6b0f779892a38cdf8280f68f172b8a4450833ccRUN
    nim_dependency_handler
    12/11/2024 7:02 PM UTC
    ...

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