MIT
DiffDock
Container
MIT
DiffDock

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

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/bin/bash" "-c" "$SERVER_START_SCRIPT_PATH"]
    08/01/2025 4:15 AM UTC
    sha256:8b315c959a4bb1a2e446be6004924ad1c0446b945f8f7ebd8d7d35274a9a19e4RUN
    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
    08/01/2025 4:15 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    08/01/2025 4:15 AM UTC
    sha256:91a126425dd7ef435babe69b43c56467055375d5a7f1c1f8a7fadfe404bf4a0dCOPY
    model_manifest.yaml /opt/nim/etc/default/model_manifest.yaml
    08/01/2025 4:15 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    08/01/2025 4:15 AM UTC
    sha256:253820a3d59b05f544495601c3116b40d500b5b930871e88ee24a487c858a439RUN
    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
    08/01/2025 4:15 AM UTC
    sha256:82207f7c590f1ccc5a5d09b61d37b9345d27c8086a13ce7990efbe6a105eb2a3COPY
    ./LICENSE ./VERSION /opt/nim
    08/01/2025 4:15 AM UTC
    sha256:31cd4efbcb5e83f864f1dba40fd173259a35fedaba3782da190fc53294a12099COPY
    ./inference.py /opt/nim
    08/01/2025 4:15 AM UTC
    sha256:a71aa9e52841a49a3ca7b0500d87353f03e73657ca8c9f4ab6950ec8b344dcb2COPY
    ./data_models.py /opt/nim
    08/01/2025 4:15 AM UTC
    sha256:44f83927df32d5f0b322dbd8c0b15aee618a659eabde2f816beba6ef6f130dd5RUN
    nim_dependency_handler
    08/01/2025 4:15 AM UTC
    ...

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