- 26 Apr, 2023 2 commits
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zhuwenwen authored
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- 20 Apr, 2023 1 commit
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Gustaf Ahdritz authored
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- 15 Apr, 2023 1 commit
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Gustaf Ahdritz authored
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- 10 Apr, 2023 7 commits
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Gustaf Ahdritz authored
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Gustaf Ahdritz authored
Improve TriangularMultiplicativeUpdate stability in fp16 mode
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Gustaf Ahdritz authored
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Gustaf Ahdritz authored
Resolving torch cuda availability for cpu-only installation
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Gustaf Ahdritz authored
Fix comparison for max_seqlen when downloading CAMEO.
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Gustaf Ahdritz authored
New option to output in ModelCIF format instead of PDB format
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Gustaf Ahdritz authored
Fix notebook: Colab now has python 3.8, fix imports, mitigate UTF-8 glitch
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- 16 Mar, 2023 1 commit
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Nikita Smetanin authored
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- 14 Mar, 2023 2 commits
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Jonathan King authored
Previously, long sequences were not excluded from the script. This commit changes the comparison to exclude sequences with length greater than args.max_seqlen.
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Gustaf Ahdritz authored
Add missing warmup_num_steps parameters to DeepSpeed config generation script.
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- 07 Mar, 2023 4 commits
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Jonathan King authored
warmup_decay_num_steps is a valid user argument but is not added to the config. This commit adds this argument to the configuration output.
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josemduarte authored
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josemduarte authored
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josemduarte authored
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- 06 Mar, 2023 4 commits
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Jose Duarte authored
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Vaclav Hanzl authored
This way user can repeat just the first and last cell to get both versions.
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Vaclav Hanzl authored
Previously protein got computed and shown in both cases but only saved to the downloaded zip when relaxation was done.
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Vaclav Hanzl authored
Colab is easily broken by openmm and other software messing with locale. This mitigation patch lets the %shell and ! work again. It is much stronger solution than just avoiding shell when making zip.
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- 05 Mar, 2023 1 commit
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Vaclav Hanzl authored
* Python 3.8 is now what we get in Colab, use it in our Conda as well * Fix imports, make some unconditional - chain of depencencies makes them needed even for relax_prediction==False * Mitigate spurious error "A UTF-8 locale is required. Got ANSI_X3.4-1968" which makes all shell commands defunct - use shutil.make_archive()
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- 01 Mar, 2023 1 commit
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Jose Duarte authored
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- 28 Feb, 2023 2 commits
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Gustaf Ahdritz authored
Add a .gitignore file
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Gustaf Ahdritz authored
Fix `--cpus_per_task` argument in README
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- 26 Feb, 2023 3 commits
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Jose Duarte authored
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awaelchli authored
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awaelchli authored
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- 22 Feb, 2023 1 commit
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Jose Duarte authored
Now multichain tested and seems to work.
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- 20 Feb, 2023 9 commits
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Jose Duarte authored
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Jose Duarte authored
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Jose Duarte authored
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Jose Duarte authored
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Jose Duarte authored
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Jose Duarte authored
Also fixed important bug: atom names were padded
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Jose Duarte authored
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Jose Duarte authored
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Jose Duarte authored
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- 16 Feb, 2023 1 commit
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Zhuoran Qiao authored
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