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"]
    01/08/2026 8:53 PM UTC
    sha256:9167ce80941d92603f1b88728b846e068d21b83650d9434e6a5255858f1140c2RUN
    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
    01/08/2026 8:53 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    01/08/2026 8:53 PM UTC
    sha256:052dfef90baf087a6e17c3a28a3cf2c4f1435ea4542ea886c38613e83aaac632COPY
    model_manifest.yaml /opt/nim/etc/default/model_manifest.yaml
    01/08/2026 8:53 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    01/08/2026 8:53 PM UTC
    sha256:bb9e1ff5006776c03818d26cb7417ed0df717edb013011b75536b59fde76934eRUN
    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
    01/08/2026 8:53 PM UTC
    sha256:98a4c7be2095de5a540cd12615ea34e8e55ad35d9ef39954f428a337a5d7b99cCOPY
    ./LICENSE ./VERSION /opt/nim
    01/08/2026 8:53 PM UTC
    sha256:06d7d9ddc5d0b5bd1f0245b9b97df3904ae5dc62176e250b72a4eb4dabe037a5COPY
    ./model_path.py /opt/nim
    01/08/2026 8:53 PM UTC
    sha256:dd95852c36be90ad8d6493b7b47d2cbef15e00531733bc72301cab26288228c3COPY
    ./inference.py /opt/nim
    01/08/2026 8:53 PM UTC
    sha256:fb5da2a993b762d1073b8427fb8013d0dd7303f8f75eec69daad38a5283ea883COPY
    ./data_models.py /opt/nim
    01/08/2026 8:53 PM UTC
    ...

    NVIDIA uses cookies to improve your experience on our web site. We and our third-party partners also use cookies and other tools to collect and record information you provide as well as information about your interactions with our websites for performance improvement, analytics, and to assist in marketing efforts. By clicking "Accept All", you consent to our use of cookies and other tools as described in our Cookie Policy. You can manage your cookie settings by clicking on "Manage Settings." By continuing to use this site or by clicking one of the buttons below, you agree to our Terms of Service (which contains important waivers). Please see our Privacy Policy for more information on our privacy practices.