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
    ...