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feat: find pi cation interactions

#810Merged
Comparing
Jaakik:feat/pi-cation-interactions
(
427ee57
) with
main
(
f796577
)
CodSpeed Performance Gauge
0%
Untouched
59

Benchmarks

59 total
benchmark_lddt[True-all]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+3%
908.2 ms882.6 ms
benchmark_superimpose[superimpose_structural_homologs]
benchmarks/structure/benchmark_superimpose.py
CodSpeed Performance Gauge
+2%
40.5 ms39.8 ms
benchmark_set_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
29.9 ms29.6 ms
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
84.3 ms83.5 ms
benchmark_set_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
7.9 ms7.8 ms
benchmark_structural_alphabet_methods[to_protein_blocks]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
+1%
9.1 ms9 ms
benchmark_set_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
129.8 ms128.8 ms
benchmark_serialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
204.3 ms202.8 ms
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
126.3 ms125.5 ms
benchmark_score_threshold_rule[None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
2 s2 s
benchmark_score_threshold_rule[11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
2 s2 s
benchmark_set_structure[cif-False]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+1%
105.7 ms105 ms
benchmark_match_kmer_selection[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
461.9 µs459.3 µs
benchmark_structural_alphabet_methods[to_3di]
benchmarks/structure/benchmark_alphabet.py
CodSpeed Performance Gauge
+1%
13.4 ms13.3 ms
benchmark_match_kmer_selection[KmerTable-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
+1%
463.8 µs461.4 µs
benchmark_lddt[True-chain]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
1.9 s1.9 s
benchmark_lddt[True-residue]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
1.9 s1.9 s
benchmark_lddt[True-atom]
benchmarks/structure/benchmark_compare.py
CodSpeed Performance Gauge
+1%
1.9 s1.9 s
benchmark_compress
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
0%
677.7 ms674.3 ms
benchmark_indexing_from_kmer_selection[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
9.4 ms9.3 ms
benchmark_match_table[BucketKmerTable(10000)-None]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13 ms13 ms
benchmark_indexing_from_kmer_selection[None-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
9.3 ms9.3 ms
benchmark_indexing_from_kmers[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13.4 ms13.4 ms
benchmark_match[KmerTable-11*11*1*1***111]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
539.7 µs537.5 µs
benchmark_indexing_from_kmers[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py
CodSpeed Performance Gauge
0%
13.4 ms13.3 ms

Commits

Click on a commit to change the comparison range
Base
main
f796577
-0.02%
Integrate '3WIP' into test structures
323fbe5
1 year ago
by padix-key
0%
Fix parsing assembly, if file contains multiple assemblies
4f1d5d3
1 year ago
by padix-key
-0.14%
add feature to apidoc
65fc44f
1 year ago
by Jaakik
+0.13%
Fix typo in doctest
565849e
1 year ago
by padix-key
+0.03%
fix doc test
427ee57
1 year ago
by Jaakik
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