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relax requirement on numpy #424

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Merged
arogozhnikov merged 2 commits into from
Jun 30, 2026
Merged

relax requirement on numpy #424

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d0ce053
relax requirement on numpy
arogozhnikov Jun 30, 2026
cbbd0a2
allow_pickle = False (taming mypy)
arogozhnikov Jun 30, 2026
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2 changes: 1 addition & 1 deletion chai_lab/chai1.py
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Expand Up @@ -1047,7 +1047,7 @@ def avg_per_token_1d(x):

scores_out_path = output_dir.joinpath(f"scores.model_idx_{idx}.npz")

np.savez(scores_out_path, **get_scores(ranking_outputs))
np.savez(scores_out_path, allow_pickle=False, **get_scores(ranking_outputs))

return StructureCandidates(
cif_paths=cif_paths,
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2 changes: 1 addition & 1 deletion requirements.in
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Expand Up @@ -20,7 +20,7 @@ modelcif>=1.0 # mmcif writing, confirmed to work currently latest 1.0


# computing, dl
numpy~=1.21
numpy>=1.21
pandas[parquet,gcp,aws]~=2.1
pandera>=0.24 # pandera.pandas requires >= 0.24
numba>=0.59
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