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perses

Experiments with expanded ensemble simulation to explore chemical and mutational space.

Install from the command line
Learn more about packages
$ docker pull ghcr.io/choderalab/perses:perses-0.10.3-cuda-11.6.2-mpi

Recent tagged image versions

  • perses-0.10.3-cuda-11.6.2-mpi
    Published 9 months ago · Digest
    sha256:cbf73761da0d47c91a1446bd9117cc1964cc2cbaff85eeae457a62cd04c6aea9
    241 Version downloads
  • cuda-11.6.2-mpi
    Published 10 months ago · Digest
    sha256:758007b375d420dfbc5395e31e809b5f03f87ac0302e5aae181ed0ceef46bf34
    471 Version downloads
  • latest-apptainer 0.10.2-apptainer
    Published 10 months ago · Digest
    sha256:ea796523406e25da27eb0518152c5ccc23209108ea7ca4c41383014b3179aa16
    244 Version downloads
  • latest sha-8b68a0b 0.10.2 feat-improve_docker_building
    Published 10 months ago · Digest
    sha256:20d2eba518988ddb2168b6ee8942d589acd5c3c54adc8135ab91a2716a00f120
    486 Version downloads
  • cuda-11.0.3-shim-mpi-latest
    Published 10 months ago · Digest
    sha256:8ea934ba1ee15e6b026ce475336ed8ec912bff6aa5713d6c5080ca382e3dd1c3
    140 Version downloads
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Details

Last published

9 months ago

Issues

227

Total downloads

3.98K

Collaborators 5