- 10 May, 2024 1 commit
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jnwei authored
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- 09 May, 2024 12 commits
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jnwei authored
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jnwei authored
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jnwei authored
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Jennifer authored
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ljarosch authored
Without the break statement this function will fall back to setting the resolution to _reflns.d_resolution_high for most structures, which reflects the resolution limit in the raw data and not the final structure (see https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_reflns.d_resolution_high.html and https://mmcif.wwpdb.org/dictionaries/mmcif_pdbx_v50.dic/Items/_refine.ls_d_res_high.html).
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Sachin Kadyan authored
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Sachin Kadyan authored
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Sachin Kadyan authored
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Sachin Kadyan authored
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Lukas Jarosch authored
This adds workers=True to the Lightning seed_everything function which guarantees different random states across all processes in distributed training. Prior to that some processes on different GPUs with the same worker ID could share the same random state. Note that this will break reproducibility between runs prior to and after this change. Also removes the seed and supress_output modules that were not used anymore in OpenFold.
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Sachin Kadyan authored
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Christina Floristean authored
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- 08 May, 2024 11 commits
- 20 Mar, 2024 1 commit
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jnwei authored
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- 21 Feb, 2024 3 commits
- 20 Feb, 2024 4 commits
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https://github.com/aqlaboratory/openfoldChristina Floristean authored
Merge branch 'setup-improvements' of https://github.com/aqlaboratory/openfold into setup-improvements
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Lukas Jarosch authored
- much faster due to the use of threading and mp - also supports sharding
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Christina Floristean authored
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Jennifer authored
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- 14 Feb, 2024 1 commit
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Jennifer authored
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- 12 Feb, 2024 1 commit
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Jennifer authored
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- 09 Feb, 2024 1 commit
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Jennifer authored
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- 08 Feb, 2024 2 commits
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Jennifer authored
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Christina Floristean authored
Full multimer merge
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- 07 Feb, 2024 3 commits
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Christina Floristean authored
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Christina Floristean authored
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Jennifer Wei authored
Type fixes and README changes for multimer branch
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