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choderalab/perses

Sponsored OSS

By Memorial Sloan Kettering Cancer Center

•Updated about 3 years ago

Experiments with relative free energy calculations

Image
Integration & delivery
Machine learning & AI
Data science
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7.7K

Tags for choderalab/perses

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TAG

latest

Last pushed about 3 years by mmh42

docker pull choderalab/perses:latest
DigestOS/ARCHCompressed size

3c4aba8f0546

linux/amd64

2.13 GB

TAG

0.10.1-dev

Last pushed about 3 years by mmh42

docker pull choderalab/perses:0.10.1-dev
DigestOS/ARCHCompressed size

6a5d29533870

linux/amd64

2.06 GB

TAG

dev-cuda-11.0-openmm8-beta

Last pushed over 3 years by mmh42

docker pull choderalab/perses:dev-cuda-11.0-openmm8-beta
DigestOS/ARCHCompressed size

22818f2b73c1

linux/amd64

3.93 GB

TAG

dev-cuda-11.0-io-openmm8-beta

Last pushed almost 4 years by mmh42

docker pull choderalab/perses:dev-cuda-11.0-io-openmm8-beta
DigestOS/ARCHCompressed size

f6201343632f

linux/amd64

3.92 GB

TAG

dev-cuda-11.0-cloud-io-openmm-dev

Last pushed almost 4 years by mmh42

docker pull choderalab/perses:dev-cuda-11.0-cloud-io-openmm-dev
DigestOS/ARCHCompressed size

bd6f14080bfc

linux/amd64

3.99 GB

TAG

dev-cuda-11.0-cloud-io

Last pushed almost 4 years by mmh42

docker pull choderalab/perses:dev-cuda-11.0-cloud-io
DigestOS/ARCHCompressed size

43ca1ddd3ec6

linux/amd64

2.63 GB

TAG

dev-cuda-9.0-cloud-io

Last pushed almost 4 years by mmh42

docker pull choderalab/perses:dev-cuda-9.0-cloud-io
DigestOS/ARCHCompressed size

e73cf8928a25

linux/amd64

1.31 GB

TAG

0.10.0-cuda-11.6.0

Last pushed about 4 years by mmh42

docker pull choderalab/perses:0.10.0-cuda-11.6.0
DigestOS/ARCHCompressed size

1765c6604fbd

linux/amd64

2.22 GB

TAG

dev

Last pushed about 4 years by mmh42

docker pull choderalab/perses:dev
DigestOS/ARCHCompressed size

1b8d732e1686

linux/amd64

2.27 GB

TAG

0.9.3-cuda-11.6.0

Last pushed over 4 years by mmh42

docker pull choderalab/perses:0.9.3-cuda-11.6.0
DigestOS/ARCHCompressed size

eaacf85c800f

linux/amd64

1.95 GB

TAG

0.9.2-cuda-11.2.2

Last pushed almost 5 years by mmh42

docker pull choderalab/perses:0.9.2-cuda-11.2.2
DigestOS/ARCHCompressed size

29774179eefd

linux/amd64

1.83 GB

TAG

0.9.2-cuda-11.0.3

Last pushed almost 5 years by mmh42

docker pull choderalab/perses:0.9.2-cuda-11.0.3
DigestOS/ARCHCompressed size

ba0067ee88d7

linux/amd64

1.92 GB

TAG

0.9.2

Last pushed almost 5 years by mmh42

docker pull choderalab/perses:0.9.2
DigestOS/ARCHCompressed size

29774179eefd

linux/amd64

1.83 GB

TAG

0.9.1

Last pushed almost 5 years by mmh42

docker pull choderalab/perses:0.9.1
DigestOS/ARCHCompressed size

696168f3114a

linux/amd64

1.8 GB

TAG

fix-nonbonded-offset

Last pushed about 8 years by choderalab

docker pull choderalab/perses:fix-nonbonded-offset
DigestOS/ARCHCompressed size

ace21c3c9bdc

linux/amd64

3.74 GB

TAG

use-nonbonded-offset

Last pushed about 8 years by choderalab

docker pull choderalab/perses:use-nonbonded-offset
DigestOS/ARCHCompressed size

f2f4c2cb1c99

linux/amd64

3.76 GB

TAG

bryce-exp-nonbonded-offset

Last pushed about 8 years by choderalab

docker pull choderalab/perses:bryce-exp-nonbonded-offset
DigestOS/ARCHCompressed size

c37999b88c01

linux/amd64

3.77 GB

TAG

bryce-exp

Last pushed about 8 years by choderalab

docker pull choderalab/perses:bryce-exp
DigestOS/ARCHCompressed size

c17512af60f0

linux/amd64

3.59 GB

TAG

exact-pme-relative

Last pushed about 8 years by choderalab

docker pull choderalab/perses:exact-pme-relative
DigestOS/ARCHCompressed size

eceab84f9d9f

linux/amd64

3.6 GB

TAG

new-atom-mapper

Last pushed about 8 years by choderalab

docker pull choderalab/perses:new-atom-mapper
DigestOS/ARCHCompressed size

035f59e4aa59

linux/amd64

3.56 GB

TAG

multistate-compatibility

Last pushed about 8 years by choderalab

docker pull choderalab/perses:multistate-compatibility
DigestOS/ARCHCompressed size

c48613bd0ada

linux/amd64

3.6 GB

TAG

update_sigma

Last pushed about 8 years by choderalab

docker pull choderalab/perses:update_sigma
DigestOS/ARCHCompressed size

f5363ebfb75a

linux/amd64

3.6 GB

TAG

fix-softcore

Last pushed about 8 years by choderalab

docker pull choderalab/perses:fix-softcore
DigestOS/ARCHCompressed size

b660dc5d4f4e

linux/amd64

3.6 GB

TAG

fix-save-trajectory

Last pushed over 8 years by choderalab

docker pull choderalab/perses:fix-save-trajectory
DigestOS/ARCHCompressed size

ba04eeb6bc3a

linux/amd64

3.61 GB

TAG

misc-fixes

Last pushed over 8 years by choderalab

docker pull choderalab/perses:misc-fixes
DigestOS/ARCHCompressed size

a56455811ba2

linux/amd64

3.6 GB