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Match escn_exportable with escn main #866

Merged
merged 3 commits into from
Sep 20, 2024
Merged

Match escn_exportable with escn main #866

merged 3 commits into from
Sep 20, 2024

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misko
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@misko misko commented Sep 19, 2024

fix l/m; make rescaling optional

@misko misko added bug Something isn't working patch Patch version release labels Sep 19, 2024
@@ -70,8 +70,8 @@ def load_model(type: str, compile=False, export=False):
cutoff=CUTOFF,
max_num_elements=MAX_ELEMENTS,
num_layers=8,
lmax_list=[4],
mmax_list=[2],
lmax_list=[6],
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maybe leave a note here to mention some additional things we can add to make this test more sensitive: add backwards, add better weight initialization etc

@rayg1234
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Thanks for fixing this!!

@@ -79,6 +79,7 @@ def __init__(
resolution: int | None = None,
compile: bool = False,
export: bool = False,
rescale_grid: bool = False,
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unless we plan to test this, lets remove this as an option, i still prefer to remove the rescale code and keep it simpler

kyonofx
kyonofx previously approved these changes Sep 20, 2024
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LGTM! I will test out the impact of rescale_grid.

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codecov bot commented Sep 20, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Files with missing lines Coverage Δ
src/fairchem/core/models/escn/escn_exportable.py 97.75% <100.00%> (-0.02%) ⬇️
src/fairchem/core/models/escn/so3.py 94.80% <ø> (ø)
src/fairchem/core/models/escn/so3_exportable.py 77.65% <100.00%> (-7.83%) ⬇️

@misko misko requested a review from kyonofx September 20, 2024 18:58
@misko misko added this pull request to the merge queue Sep 20, 2024
@github-merge-queue github-merge-queue bot removed this pull request from the merge queue due to failed status checks Sep 20, 2024
@misko misko added this pull request to the merge queue Sep 20, 2024
Merged via the queue into main with commit 83fd9d2 Sep 20, 2024
8 checks passed
@misko misko deleted the escn_exportable_matching branch September 20, 2024 21:56
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3 participants