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11 days ago 4e58775 padix-key:fallback-bonds pull_requestCompare
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CompareWrite single bonds to `chem_comp_bond` as fallback
#870
padix-key:fallback-bonds
11 days ago
CPU Simulation
63 total
benchmark_get_sequences[fasta_path1-ProteinSequence]
benchmarks/sequence/benchmark_fasta.py8.8 ms
benchmark_get_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py18.4 ms
benchmark_indexing_from_kmer_selection[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py12.3 ms
benchmark_get_sequences[fasta_path0-NucleotideSequence]
benchmarks/sequence/benchmark_fasta.py184.4 ms
benchmark_indexing_from_kmer_selection[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py9.1 ms
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py124.2 ms
benchmark_get_structure[cif-False]
benchmarks/structure/benchmark_pdbx.py58.7 ms
benchmark_indexing_from_kmer_selection[None-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py9.1 ms
benchmark_indexing_from_kmer_selection[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py12.3 ms
benchmark_indexing_from_kmers[11*11*1*1***111-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py13.3 ms
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py81.3 ms
benchmark_serialize_pdbx[cif]
benchmarks/structure/benchmark_pdbx.py201.2 ms
benchmark_indexing_from_kmers[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py10.2 ms
benchmark_serialize_pdbx[bcif]
benchmarks/structure/benchmark_pdbx.py111.7 ms
benchmark_set_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py128.6 ms
benchmark_set_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py30.6 ms
benchmark_indexing_from_sequences[11*11*1*1***111-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py14.5 ms
benchmark_set_structure[bcif-False]
benchmarks/structure/benchmark_pdbx.py8.1 ms
benchmark_superimpose[superimpose]
benchmarks/structure/benchmark_superimpose.py2.5 ms
benchmark_indexing_from_sequences[None-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py9.5 ms
benchmark_indexing_from_sequences[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py12.6 ms
benchmark_superimpose[superimpose_structural_homologs]
benchmarks/structure/benchmark_superimpose.py32.3 ms
benchmark_superimpose[superimpose_homologs]
benchmarks/structure/benchmark_superimpose.py28.4 ms
benchmark_indexing_from_kmers[None-BucketKmerTable(100000)]
benchmarks/sequence/align/benchmark_kmers.py10.1 ms
benchmark_indexing_from_kmers[None-KmerTable]
benchmarks/sequence/align/benchmark_kmers.py13.2 ms