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unpacking source archive /nix/store/nsvj3pba8f16cj3wn91gi2kcwnbhwvbk-source
source root is source
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Running phase: updateAutotoolsGnuConfigScriptsPhase
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Running phase: fixupPhase
shrinking RPATHs of ELF executables and libraries in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0
checking for references to /build/ in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0...
patching script interpreter paths in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0
stripping (with command strip and flags -S -p) in /nix/store/waqjqk16qw0216w922rgi11d1nn97q0z-thermompnn-1.0.0/bin
Running phase: installCheckPhase
/nix/store/i7hmws104c6dx6k99wnggd00m18x1m2s-python3-3.14.7-env/lib/python3.14/site-packages/Bio/pairwise2.py:278: BiopythonDeprecationWarning: Bio.pairwise2 has been deprecated, and we intend to remove it in a future release of Biopython. As an alternative, please consider using Bio.Align.PairwiseAligner as a replacement, and contact the Biopython developers if you still need the Bio.pairwise2 module.
  warnings.warn(
/nix/store/i7hmws104c6dx6k99wnggd00m18x1m2s-python3-3.14.7-env/lib/python3.14/site-packages/torchmetrics/utilities/prints.py:43: UserWarning: Metric `SpearmanCorrcoef` will save all targets and predictions in the buffer. For large datasets, this may lead to large memory footprint.
  warnings.warn(*args, **kwargs)
          Model Dataset  ddG_pred position wildtype mutation   pdb chain
0    ThermoMPNN    test  0.133521        0        T        A  test     A
1    ThermoMPNN    test -0.127606        0        T        C  test     A
2    ThermoMPNN    test  0.535634        0        T        D  test     A
3    ThermoMPNN    test  0.383188        0        T        E  test     A
4    ThermoMPNN    test   0.00563        0        T        F  test     A
..          ...     ...       ...      ...      ...      ...   ...   ...
115  ThermoMPNN    test       0.0        5        S        S  test     A
116  ThermoMPNN    test  0.162641        5        S        T  test     A
117  ThermoMPNN    test  0.093034        5        S        V  test     A
118  ThermoMPNN    test  -0.29962        5        S        W  test     A
119  ThermoMPNN    test -0.202574        5        S        Y  test     A

[120 rows x 8 columns]
Saved ThermoMPNN output to out/ThermoMPNN_inference_test.csv
install check OK: 121 rows in out/ThermoMPNN_inference_test.csv