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- 7 commits
- 12 files changed
- 4 contributors
Commits on Sep 12, 2023
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[pre-commit.ci] pre-commit autoupdate (#341)
updates: - [github.com/psf/black: 23.7.0 → 23.9.1](psf/black@23.7.0...23.9.1) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Commits on Oct 5, 2023
Commits on Oct 10, 2023
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[pre-commit.ci] pre-commit autoupdate (#347)
updates: - [github.com/pre-commit/pre-commit-hooks: v4.4.0 → v4.5.0](pre-commit/pre-commit-hooks@v4.4.0...v4.5.0) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Commits on Oct 24, 2023
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[pre-commit.ci] pre-commit autoupdate (#349)
updates: - [github.com/psf/black: 23.9.1 → 23.10.1](psf/black@23.9.1...23.10.1) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Commits on Oct 25, 2023
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Add support for PyG 2.4+ (#350)
* change dssp conda install to apt * add looseversion dependency * bump changelog * use apt-get * fix broken test from deprecated PDB * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * make pdb code in test lowercase * make pdb code in test lowercase * pin biopython version <1.81 for dssp compatibility * switch dssp back to apt-get * pin biopython <=1.79 for dssp * pin dssp version in CI * switch dssp install back to salilab * install specific boost version for DSSP * add python 3.10 and torch 2.1.0 to CI matrix * make 3.10 python version string * unpin biopython version --------- Co-authored-by: Arian Jamasb <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
3 people authoredOct 25, 2023
Commits on Oct 26, 2023
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Fix
add_sequence_neighbour_vector(#336)* Fix nx -> pyg conversion corner case when graph has no edges * Update changelog * Add todos * Remove redundant check * Fix propagation of same `vec` on non-adjacent nodes * Fix adjacency check for insertion codes * Fix adjacency check for insertion codes for backward order * Test `add_sequence_neighbour_vector` * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * Update CHANGELOG.md --------- Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com> Co-authored-by: Arian Jamasb <[email protected]>
3 people authoredOct 26, 2023 -
Bump versionstrings for
1.7.4release (#351)* change dssp conda install to apt * add looseversion dependency * bump changelog * use apt-get * fix broken test from deprecated PDB * [pre-commit.ci] auto fixes from pre-commit.com hooks for more information, see https://pre-commit.ci * make pdb code in test lowercase * make pdb code in test lowercase * pin biopython version <1.81 for dssp compatibility * switch dssp back to apt-get * pin biopython <=1.79 for dssp * pin dssp version in CI * switch dssp install back to salilab * install specific boost version for DSSP * add python 3.10 and torch 2.1.0 to CI matrix * make 3.10 python version string * unpin biopython version * bump docstrings to 1.7.4 --------- Co-authored-by: Arian Jamasb <[email protected]> Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
3 people authoredOct 26, 2023
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