MIT
DiffDock
Container
MIT
DiffDock

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

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4CMD
    01/15/2025 6:03 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/bin/sh" "-c" "exec \"$SERVER_START_SCRIPT_PATH\""]
    01/15/2025 6:03 PM UTC
    sha256:7f4744cafdb03683210d2336b5e2cccf7e0e20dce69d5e39ae5ed31146b5c984RUN
    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
    01/15/2025 6:03 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    01/15/2025 6:03 PM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    01/15/2025 6:03 PM UTC
    sha256:7bbdc4004b9bcc3e898ba5f7cdd46da6179efe76156992323f9796467aa73193RUN
    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
    01/15/2025 6:03 PM UTC
    sha256:90b758f1eb52376ddb1685c644a259e71e1c3a3dc9f423a120976e9229a505dcCOPY
    ./inference.py ./LICENSE ./VERSION /opt/nim
    01/15/2025 6:03 PM UTC
    sha256:0a9911f961323ba0761dccb4b38db233ccc527afbc25104b62e3e5e818780e92COPY
    ./data_models.py /opt/nim
    01/15/2025 6:03 PM UTC
    sha256:4f4fb700ef54461cfa02571ae0db9a0dc1e0cdb5577484a6d75e68dc38e8acc1WORKDIR
    /opt/nim
    01/15/2025 6:03 PM UTC
    sha256:b2bda92bcf79e7f995b626f1cc78d123da99c2c810eff978cde37147b169332cRUN
    nim_dependency_handler
    01/15/2025 6:03 PM UTC
    ...