Published May 9, 2025
| Version v1
Dataset
Open
gufe_test_data
Description
files taken from this commit https://github.com/OpenFreeEnergy/openfe-benchmarks/tree/f577a88d94b6deae1c0de7eb926edf48dd42b72d/openfe_benchmarks/data
and these files
"cmet_protein",
"hif2a_protein",
"mcl1_protein",
"p38_protein",
"ptp1b_protein",
"syk_protein",
"thrombin_protein",
"tnsk2_protein",
"tyk2_protein",
Files
Files
(3.3 MB)
| Name | Size | Download all |
|---|---|---|
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md5:0a38968fe9c09a49da2f1c57e84196f0
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396.7 kB | Download |
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md5:158711011c6b85b1d55ad68a559ca07b
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303.2 kB | Download |
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md5:a2e57c14a925ee0dd9f158eb7ad5f413
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212.9 kB | Download |
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md5:52e1ba80c73c7f710219580bddb71de3
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495.9 kB | Download |
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md5:f754c3aa3ea1617d99a4dd21fb158967
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427.2 kB | Download |
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md5:0c631f4b88ed7bbd35ee660214426cd2
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386.1 kB | Download |
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md5:261b8f040b389188e8c0cf14fbab5775
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395.8 kB | Download |
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md5:aa13bef540d061ed66ef4240886a39ec
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293.7 kB | Download |
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md5:48d447290ee637ce8e3255cfa572297a
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404.3 kB | Download |