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Implemented a stratified sampler #539

Merged
merged 22 commits into from
Feb 19, 2024
Merged

Implemented a stratified sampler #539

merged 22 commits into from
Feb 19, 2024

Commits on May 3, 2023

  1. added sampler.py file

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    jnsLs committed May 3, 2023
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Commits on May 11, 2023

  1. stratified sampler works technically

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    jnsLs committed May 11, 2023
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  2. sampler is adapted to MOMONANO data

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    jnsLs committed May 11, 2023
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  3. using torch sampler

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    jnsLs committed May 11, 2023
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  4. implemented weight calculator

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    jnsLs committed May 11, 2023
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  5. use custom sampler again

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    jnsLs committed May 11, 2023
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Commits on May 12, 2023

  1. sampler works with hydra

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    jnsLs committed May 12, 2023
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  2. cleaned up, sampler is only enabled for train loader so far

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    jnsLs committed May 12, 2023
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  3. Merge branch 'master' of https://github.com/atomistic-machine-learnin… 

    …g/schnetpack into jl-sh/stratified_sampler
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    jnsLs committed May 12, 2023
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  4. further cleaning up

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    jnsLs committed May 12, 2023
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Commits on May 15, 2023

  1. sampler.py in init.py

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    jnsLs committed May 15, 2023
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Commits on May 16, 2023

  1. str2class in cli, cleaned up sampler.py

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    jnsLs committed May 16, 2023
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  2. updated documentation

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    jnsLs committed May 16, 2023
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  3. fixed bug in default config settings

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    jnsLs committed May 16, 2023
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Commits on Feb 14, 2024

  1. Merge branch 'master' of https://github.com/atomistic-machine-learnin… 

    …g/schnetpack into jl-sh/stratified_sampler
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    jnsLs committed Feb 14, 2024
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  2. cleaned up

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    jnsLs committed Feb 14, 2024
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Commits on Feb 15, 2024

  1. Merge branch 'master' of https://github.com/atomistic-machine-learnin… 

    …g/schnetpack into jl-sh/stratified_sampler
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    jnsLs committed Feb 15, 2024
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Commits on Feb 19, 2024

  1. Update src/schnetpack/data/sampler.py 

    Co-authored-by: Malte Esders <git@maltimore.info>
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    jnsLs and Maltimore authored Feb 19, 2024
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  2. Update src/schnetpack/data/sampler.py 

    Co-authored-by: Malte Esders <git@maltimore.info>
    @jnsLs @Maltimore
    jnsLs and Maltimore authored Feb 19, 2024
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  3. cleaned up

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    jnsLs committed Feb 19, 2024
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  4. clean up

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    jnsLs committed Feb 19, 2024
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  5. using np.histogram for stratified sampler

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    jnsLs committed Feb 19, 2024
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