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espaloma / sha256:8a191cd937d572396cc72fb29e2a687d800a1b40ad269c999ff3902d413085fb

sha256:8a191cd937d572396cc72fb29e2a687d800a1b40ad269c999ff3902d413085fb

Install from the command line
Learn more about packages
$ docker pull ghcr.io/choderalab/espaloma@sha256:8a191cd937d572396cc72fb29e2a687d800a1b40ad269c999ff3902d413085fb
Use as base image in Dockerfile:
FROM ghcr.io/choderalab/espaloma@sha256:8a191cd937d572396cc72fb29e2a687d800a1b40ad269c999ff3902d413085fb
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

Manifest

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  "labels": {
    "org.opencontainers.image.url": "https://github.com/choderalab/espaloma",
    "org.opencontainers.image.licenses": "MIT",
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    "org.opencontainers.image.source": "https://github.com/choderalab/espaloma"
  }
}

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