Implement `CellList` in Rust
#864Comparing
padix-key:rust-celllist
(4995653
) withrust
(5fde24b
)+11%
- Improvement
- 1
- Untouched
- 62
- New
- 27
No successful run was found on rust ( 545c8c5) during the generation of this report, so main ( 5fde24b) was used instead as the comparison base. There might be some changes unrelated to this pull request in this report.
Benchmarks
90 total
benchmark_conversion[get_all_bonds]
benchmarks/structure/benchmark_bonds.pyN/A
N/A178.5 µs
benchmark_conversion[as_graph]
benchmarks/structure/benchmark_bonds.pyN/A
N/A8.8 ms
benchmark_sasa
benchmarks/structure/benchmark_sasa.pyN/A
N/A289.2 ms
benchmark_lddt[False-chain]
benchmarks/structure/benchmark_compare.py+8%
317.9 ms295.2 ms
benchmark_lddt[False-atom]
benchmarks/structure/benchmark_compare.py+8%
311.3 ms289.1 ms
benchmark_lddt[False-residue]
benchmarks/structure/benchmark_compare.py+8%
323.2 ms300.5 ms
benchmark_kmer_decomposition[None]
benchmarks/sequence/align/benchmark_kmers.py+3%
149.8 µs145.6 µs
benchmark_score_threshold_rule[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py+3%
2 s1.9 s
benchmark_score_threshold_rule[None]
benchmarks/sequence/align/benchmark_kmers.py+3%
2 s1.9 s
benchmark_lddt[True-all]
benchmarks/structure/benchmark_compare.py+2%
884.9 ms863.4 ms
benchmark_indexing_from_sequences[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py+2%
14.5 ms14.2 ms
benchmark_kmer_decomposition[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py+2%
185 µs181.1 µs
benchmark_get_sequences[fasta_path0-NucleotideSequence]
benchmarks/sequence/benchmark_fasta.py+2%
184.9 ms181.4 ms
benchmark_indexing_from_sequences[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py+2%
17.6 ms17.3 ms
benchmark_lddt[True-chain]
benchmarks/structure/benchmark_compare.py+1%
1.9 s1.9 s
benchmark_lddt[True-residue]
benchmarks/structure/benchmark_compare.py+1%
1.9 s1.9 s
benchmark_lddt[True-atom]
benchmarks/structure/benchmark_compare.py+1%
1.9 s1.9 s
benchmark_superimpose[superimpose_structural_homologs]
benchmarks/structure/benchmark_superimpose.py+1%
32.3 ms31.9 ms
benchmark_match[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py+1%
624.7 µs619.7 µs
benchmark_get_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py+1%
18.4 ms18.3 ms
benchmark_deserialize_pdbx[bcif]
benchmarks/structure/benchmark_pdbx.py+1%
110.6 ms109.8 ms
benchmark_match_table[BucketKmerTable(10000)-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py+1%
12.9 ms12.8 ms
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py+1%
81.5 ms81 ms
benchmark_match[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py+1%
540.2 µs537.2 µs
benchmark_indexing_from_sequences[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py+1%
12.6 ms12.5 ms
Commits
Click on a commit to change the comparison rangeBase
main
5fde24b
+10.68%
Add links to Rust source
4995653
18 hours ago
by padix-key