Commits

History for

Commits on Jul 21, 2026

Merge pull request #681 from padix-key/clepaps
Show description for 2587935
padix-key
authored
2587935
Copy full SHA for 2587935
Add support for CLePAPS structural alphabet
padix-key
committed
82daff1
Copy full SHA for 82daff1

Commits on Jul 18, 2026

Merge pull request #929 from jberg5/set-vina-seed
Show description for 7fb9641
padix-key
authored
7fb9641
Copy full SHA for 7fb9641

Commits on Jul 16, 2026

Set nonzero vina seed for determinism
jberg5
committed
e46d9e8
Copy full SHA for e46d9e8

Commits on Jul 15, 2026

Reflect that the RCSB now supports BCIF download for 12-letter codes
padix-key
committed
ffdd0e4
Copy full SHA for ffdd0e4

Commits on Jul 3, 2026

Refactor test suite
padix-key
committed
e7abbe3
Copy full SHA for e7abbe3

Commits on Jul 1, 2026

Support iterable of AtomArray in set_structure()
padix-key
committed
efb271e
Copy full SHA for efb271e

Commits on Jun 27, 2026

Implement `KmerTable` in Rust
padix-key
committed
6074026
Copy full SHA for 6074026

Commits on Jun 26, 2026

Merge pull request #917 from padix-key/issue-915
Show description for 881eba6
padix-key
authored
881eba6
Copy full SHA for 881eba6

Commits on Jun 24, 2026

Increase tolerance to avoid flaky test failures
padix-key
committed
26f2260
Copy full SHA for 26f2260
Fix #915
padix-key
committed
88ef658
Copy full SHA for 88ef658
Migrate alignment functions to Rust
padix-key
committed
3c0d325
Copy full SHA for 3c0d325
Add legacy consistency tests
padix-key
committed
103d6dc
Copy full SHA for 103d6dc

Commits on Jun 11, 2026

Remove runtime type checking
padix-key
committed
255968a
Copy full SHA for 255968a
Add type annotations to code base
padix-key
committed
e17a645
Copy full SHA for e17a645
Enable type annotation
padix-key
committed
9a1c91f
Copy full SHA for 9a1c91f

Commits on Jun 10, 2026

Make Vina results more reproducible
padix-key
committed
8fcec2e
Copy full SHA for 8fcec2e

Commits on May 25, 2026

Merge pull request #898 from biotite-dev/rust
Show description for 0382bb4
padix-key
authored
0382bb4
Copy full SHA for 0382bb4

Commits on May 16, 2026

Merge remote-tracking branch 'upstream/main' into rust
padix-key
committed
ce13fc5
Copy full SHA for ce13fc5

Commits on May 10, 2026

Merge pull request #893 from padix-key/issue-892
Show description for c236d1a
padix-key
authored
c236d1a
Copy full SHA for c236d1a

Commits on May 4, 2026

Add optional `entity_id` annotation
padix-key
committed
a8c23e2
Copy full SHA for a8c23e2

Commits on May 3, 2026

Parse `atom_id` in `from_topology()`
padix-key
committed
ae73d1a
Copy full SHA for ae73d1a

Commits on Apr 27, 2026

Merge remote-tracking branch 'upstream/main' into rust
padix-key
committed
c841091
Copy full SHA for c841091

Commits on Apr 20, 2026

fix(clustal): apply review feedback on PR #880
Show description for 7e6fb6e
haoyu-haoyu
committed
7e6fb6e
Copy full SHA for 7e6fb6e
feat: add ClustalW .aln format support for sequence alignments
Show description for 4a8e447
haoyu-haoyu
committed
4a8e447
Copy full SHA for 4a8e447
Merge remote-tracking branch 'upstream/main' into rust
padix-key
committed
83be2a4
Copy full SHA for 83be2a4
Merge pull request #887 from padix-key/fix-ion-filter
Show description for fe75450
padix-key
authored
fe75450
Copy full SHA for fe75450

Commits on Apr 17, 2026

Make `filter_monoatomic_ions()` more rigorous
padix-key
committed
1e6824b
Copy full SHA for 1e6824b
Add `nucleotide_dihedral_backbone` and `nucleotide_dihedral_side_chain`
padix-key
committed
0189bfe
Copy full SHA for 0189bfe

Commits on Apr 13, 2026

Make order of `BondType` enum member deterministic
padix-key
committed
845510e
Copy full SHA for 845510e
Merge remote-tracking branch 'upstream/main' into rust
padix-key
committed
d97c654
Copy full SHA for d97c654

Commits on Apr 8, 2026

Fix failing `test_kekulization` test after RDKit update
padix-key
committed
9c232d3
Copy full SHA for 9c232d3
Merge remote-tracking branch 'upstream/main' into rust
padix-key
committed
79402d9
Copy full SHA for 79402d9

Commits on Mar 20, 2026

Merge pull request #878 from padix-key/fix-test_one_letter_code
Show description for ccb3c28
padix-key
authored
ccb3c28
Copy full SHA for ccb3c28

Commits on Mar 18, 2026

Adapt test to reflect new CCD version
padix-key
committed
8aad23a
Copy full SHA for 8aad23a