Nvidia
NVIDIA NIM for GenMol
Container
Nvidia
NVIDIA NIM for GenMol

GenMol is a masked diffusion model trained on molecular SAFE representations for fragment-based molecule generation, which can serve as a generalist model for various drug discovery tasks.

  • LayerLabelCreated
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENTRYPOINT
    ["/bin/bash" "-c" "$SERVER_START_SCRIPT_PATH"]
    05/06/2026 7:09 AM UTC
    sha256:acd8e4113751afc6e720bbfd79d098578445238e79ea293bcee707c92d6f95aaRUN
    RUN |3 TELEMETRY_MODE=0 TELEMETRY_ENDPOINT=0 PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple /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 echo "NIM Tools: \$NIMTOOLS_VERSION" start_server EOF # buildkit
    05/06/2026 7:09 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4ENV
    SERVER_START_SCRIPT_PATH=/opt/nim/start_server.sh
    05/06/2026 7:09 AM UTC
    sha256:cc2e58ec5f3f8d45e6ca5999e3f8279adb20a73129a41e6906be8baaea80182aCOPY
    model_manifest.yaml /opt/nim/etc/default/model_manifest.yaml
    05/06/2026 7:09 AM UTC
    sha256:a3ed95caeb02ffe68cdd9fd84406680ae93d633cb16422d00e8a7c22955b46d4USER
    nvs:1000
    05/06/2026 7:09 AM UTC
    sha256:227818a7849eaea8a9e451b812400435d082dd28e259d1260f58ef2aa67f703cRUN
    TELEMETRY_MODE=0 TELEMETRY_ENDPOINT=0 PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple 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 &&
      [ -d /etc/ld.so.conf.d ] ||
      mkdir -p /etc/ld.so.conf.d &&
      [ -f /etc/ld.so.conf.d/nvidia.conf ] ||
      touch /etc/ld.so.conf.d/nvidia.conf &&
      echo "/usr/local/nvidia/lib" >> /etc/ld.so.conf.d/nvidia.conf &&
      echo "/usr/local/nvidia/lib64" >> /etc/ld.so.conf.d/nvidia.conf &&
      echo "/usr/local/cuda/lib64" >> /etc/ld.so.conf.d/nvidia.conf &&
      if command -v ldconfig >/dev/null 2>&1; then ldconfig; fi &&
      /opt/packages/remove_packages.sh &&
      rm -f /opt/packages/remove_packages.sh
    05/06/2026 7:09 AM UTC
    sha256:38716e0f92673c5dff4368cc4a18fc5af715febcf9f22ccfb4ba34551a6994ebCOPY
    ./LICENSE ./VERSION /opt/nim
    05/06/2026 6:38 AM UTC
    sha256:4ea06ed5de6bdb7cab51fbfba6919855b132d2c310f5e168f99e8281a97925edCOPY
    ./inference.py /opt/nim
    05/06/2026 6:38 AM UTC
    sha256:44639e62183e7052ca38c16b6913ecfbd858920339bbaf2c098887c78afab1c3COPY
    ./data_models.py /opt/nim
    05/06/2026 6:38 AM UTC
    sha256:88c3e3521c349e92fcb0857f61dc9a4aea2ff0651d85bb4efa74ad06accbfe1fRUN
    TELEMETRY_MODE=0 TELEMETRY_ENDPOINT=0 PIP_INDEX_URL=https://urm.nvidia.com/artifactory/api/pypi/nv-shared-pypi/simple ln -s /workspace/genmol/src/genmol /usr/local/lib/python3.12/dist-packages/genmol
    05/06/2026 6:38 AM UTC
    ...

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