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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

  • latest sha-79ec027 v0.5.0 0.5.0 0.5
    Published 27 days ago · Digest
    sha256:b7a5379af2401ebfdfb0ad78818b569f66294ede5475ceb03183155b691a4f89
    5 Version downloads
  • sha-dc43ef8 release-0.5.0-prep
    Published 28 days ago · Digest
    sha256:d7f118a3862b89454981cc60531691a3da3005195cb3385eaa7fcc15d82cff97
    1,384 Version downloads
  • sha-842a9cc
    Published 29 days ago · Digest
    sha256:b8e06e4e1064b43867bab4ce8dc632a4ca68622f3d842f1341edca060eb4b2d0
    38 Version downloads
  • sha-dca3f34
    Published about 1 month ago · Digest
    sha256:194a44a521452f03315cb9a2ed85b1926464c6cd1e45d4126de94d0e2b116634
    1 Version downloads
  • sha-2d09447
    Published about 1 month ago · Digest
    sha256:c5486d9157fd05d8877cbd7e32b14206a3b707bb5a452a8336ef9cf9adcb5f55
    1 Version downloads
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Last published

27 days ago

Discussions

6

Issues

87

Total downloads

36.9K