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choderalab/yank

Sponsored OSS

By Memorial Sloan Kettering Cancer Center

Updated about 7 years ago

YANK: GPU-accelerated binding free energy calculations

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Machine learning & AI
Data science
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7.5K

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Last pushed about 7 years by choderalab

docker pull choderalab/yank:latest
DigestOS/ARCHCompressed size

3a81fde2cb45

linux/amd64

2.87 GB

TAG

Last pushed over 8 years by choderalab

docker pull choderalab/yank:dockerfile-testing
DigestOS/ARCHCompressed size

2fd721d8a0b2

linux/amd64

2.19 GB