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alchemiscale-compute

a high-throughput alchemical free energy execution system for use with HPC, cloud, bare metal, and Folding@Home

Install from the command line
Learn more about packages
$ docker pull ghcr.io/openforcefield/alchemiscale-compute:sha-79ec027

Recent tagged image versions

  • Published 3 months ago · Digest
    sha256:b7a5379af2401ebfdfb0ad78818b569f66294ede5475ceb03183155b691a4f89
    1,047 Version downloads
  • Published 3 months ago · Digest
    sha256:d7f118a3862b89454981cc60531691a3da3005195cb3385eaa7fcc15d82cff97
    1,752 Version downloads
  • Published 3 months ago · Digest
    sha256:b8e06e4e1064b43867bab4ce8dc632a4ca68622f3d842f1341edca060eb4b2d0
    39 Version downloads
  • Published 3 months ago · Digest
    sha256:194a44a521452f03315cb9a2ed85b1926464c6cd1e45d4126de94d0e2b116634
    2 Version downloads
  • Published 3 months ago · Digest
    sha256:c5486d9157fd05d8877cbd7e32b14206a3b707bb5a452a8336ef9cf9adcb5f55
    2 Version downloads

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Last published

3 months ago

Total downloads

38.4K