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Improve explosions in memory and time during inference #102

Merged
merged 15 commits into from
Apr 5, 2024
Merged

Improve explosions in memory and time during inference #102

merged 15 commits into from
Apr 5, 2024

Commits on Apr 4, 2024

  1. replace deepcopy with new conversion

    @lilyminium
    lilyminium committed Apr 4, 2024
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  2. add graph function

    @lilyminium
    lilyminium committed Apr 4, 2024
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  3. switch networkx graph to namedtuple

    @lilyminium
    lilyminium committed Apr 4, 2024
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  4. sort key

    @lilyminium
    lilyminium committed Apr 4, 2024
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  5. keep graphs as graphs

    @lilyminium
    lilyminium committed Apr 4, 2024
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  6. fix graph

    @lilyminium
    lilyminium committed Apr 4, 2024
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  7. add copy method

    @lilyminium
    lilyminium committed Apr 4, 2024
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  8. experiment with references

    @lilyminium
    lilyminium committed Apr 4, 2024
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  9. this may end badly

    @lilyminium
    lilyminium committed Apr 4, 2024
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  10. use dicts

    @lilyminium
    lilyminium committed Apr 4, 2024
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  11. remove itertools.product from call

    @lilyminium
    lilyminium committed Apr 4, 2024
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Commits on Apr 5, 2024

  1. remove normalization conformers

    @lilyminium
    lilyminium committed Apr 5, 2024
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  2. fix molecule call

    @lilyminium
    lilyminium committed Apr 5, 2024
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  3. use numpy for masking

    @lilyminium
    lilyminium committed Apr 5, 2024
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  4. add protein as test case

    @lilyminium
    lilyminium committed Apr 5, 2024
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