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{bio}[foss/2022a] AlphaFold v2.3.1, HH-suite v3.3.0, Kalign v3.3.5, OpenMM 8.0.0 w/ Python 3.10.4 #17604

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merged 13 commits into from
Apr 14, 2023
Merged

{bio}[foss/2022a] AlphaFold v2.3.1, HH-suite v3.3.0, Kalign v3.3.5, OpenMM 8.0.0 w/ Python 3.10.4 #17604

merged 13 commits into from
Apr 14, 2023

Commits on Mar 27, 2023

  1. Add AlphaFold and deps

    @maxim-masterov
    maxim-masterov committed Mar 27, 2023
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  2. Update to AlphaFold-2.3.1

    @maxim-masterov
    maxim-masterov committed Mar 27, 2023
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  3. Add missing binutils

    @maxim-masterov
    maxim-masterov committed Mar 27, 2023
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Commits on Mar 28, 2023

  1. Add OpenMM-7.7.0

    @maxim-masterov
    maxim-masterov committed Mar 28, 2023
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  2. Switch to OpenMM-8.0.0

    @maxim-masterov
    maxim-masterov committed Mar 28, 2023
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Commits on Apr 3, 2023

  1. Add CUDA to OpenMM

    @maxim-masterov
    maxim-masterov committed Apr 3, 2023
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  2. Fix comment

    @maxim-masterov
    maxim-masterov committed Apr 3, 2023
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Commits on Apr 4, 2023

  1. Add patch to resolve tree-vectorize issue

    @maxim-masterov
    maxim-masterov committed Apr 4, 2023
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  2. Fix style

    @maxim-masterov
    maxim-masterov committed Apr 4, 2023
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Commits on Apr 11, 2023

  1. Add CUDA versionsuffix to OpenMM

    @maxim-masterov
    maxim-masterov committed Apr 11, 2023
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  2. Merge branch 'develop' of https://github.com/easybuilders/easybuild-e… 

    …asyconfigs into AlphaFold
    @maxim-masterov
    maxim-masterov committed Apr 11, 2023
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  3. Fix style

    @maxim-masterov
    maxim-masterov committed Apr 11, 2023
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Commits on Apr 13, 2023

  1. update jax dependency of AlphaFold 2.3.1 to 0.3.25

    @boegel
    boegel committed Apr 13, 2023
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