thermompnn-1.0-unstable-2026-09-09
checks.x86_64-linux.pkgs-thermompnn
· build #95
· raw
unpackPhase
1unpacking source archive /nix/store/a1xiq0ksk7dwig89myp036pp931a13jq-source2source root is sourceconfigurePhase
3no configure script, doing nothingbuildPhase
4no Makefile or custom buildPhase, doing nothingfixupPhase
5shrinking RPATHs of ELF executables and libraries in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-096checking for references to /build/ in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09...7patching script interpreter paths in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-098stripping (with command strip and flags -S -p) in /nix/store/0qg2wqbgkjg2g94i4l2l3s6lam5wb15p-thermompnn-1.0-unstable-2026-09-09/bininstallCheckPhase
9/nix/store/6jmglz1y0iaqb0jv1q7yydl0iqlgy3db-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.10 warnings.warn(11/nix/store/6jmglz1y0iaqb0jv1q7yydl0iqlgy3db-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.12 warnings.warn(*args, **kwargs)13 Model Dataset ddG_pred position wildtype mutation pdb chain140 ThermoMPNN test 0.133521 0 T A test A151 ThermoMPNN test -0.127606 0 T C test A162 ThermoMPNN test 0.535634 0 T D test A173 ThermoMPNN test 0.383188 0 T E test A184 ThermoMPNN test 0.00563 0 T F test A19.. ... ... ... ... ... ... ... ...20115 ThermoMPNN test 0.0 5 S S test A21116 ThermoMPNN test 0.162641 5 S T test A22117 ThermoMPNN test 0.093034 5 S V test A23118 ThermoMPNN test -0.29962 5 S W test A24119 ThermoMPNN test -0.202574 5 S Y test A2526[120 rows x 8 columns]27Saved ThermoMPNN output to out/ThermoMPNN_inference_test.csv28install check OK: 121 rows in out/ThermoMPNN_inference_test.csv29installCheckPhase completed in 32 seconds