GitHub Actions run on branch padix-key:rust-celllist - biotite-dev/biotite

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CPU Simulation

19 days ago 4995653 padix-key:rust-celllist pull_request

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Implement `CellList` in Rust

#864

padix-key:rust-celllist

19 days ago

CPU Simulation

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Suggested base runs: • •

90 total

benchmark_indexing_from_kmer_selection[11*11*1*1***111-BucketKmerTable(100000)]

benchmarks/sequence/align/benchmark_kmers.py

9.1 ms

benchmark_indexing_from_kmer_selection[None-BucketKmerTable(100000)]

benchmarks/sequence/align/benchmark_kmers.py

9.1 ms

benchmark_indexing_from_kmer_selection[11*11*1*1***111-KmerTable]

benchmarks/sequence/align/benchmark_kmers.py

12.3 ms

benchmark_find_rotatable_bonds

benchmarks/structure/benchmark_bonds.py

44 ms

benchmark_get_all_bonds

benchmarks/structure/benchmark_bonds.py

179.6 µs

benchmark_set_structure_with_bonds

benchmarks/structure/benchmark_pdb.py

11.8 ms

benchmark_compress

benchmarks/structure/benchmark_pdbx.py

698.2 ms

benchmark_cell_list_compute_contacts[MAPPING]

benchmarks/structure/benchmark_celllist.py

18.7 ms

benchmark_find_connected

benchmarks/structure/benchmark_bonds.py

297.1 µs

benchmark_get_bonds

benchmarks/structure/benchmark_bonds.py

15.1 ms

benchmark_deserialize_pdbx[cif]

benchmarks/structure/benchmark_pdbx.py

105.3 ms

benchmark_cell_list_compute_contacts[PAIRS]

benchmarks/structure/benchmark_celllist.py

18.7 ms

benchmark_get_assembly

benchmarks/structure/benchmark_pdbx.py

662.7 ms

benchmark_partial_charges

benchmarks/structure/benchmark_charges.py

730.1 µs

benchmark_lddt[False-all]

benchmarks/structure/benchmark_compare.py

205.3 ms

benchmark_get_structure[bcif-True]

benchmarks/structure/benchmark_pdbx.py

81 ms

benchmark_get_structure[bcif-False]

benchmarks/structure/benchmark_pdbx.py

18.3 ms

benchmark_indexing_from_kmer_selection[None-KmerTable]

benchmarks/sequence/align/benchmark_kmers.py

12.3 ms

benchmark_lddt[False-atom]

benchmarks/structure/benchmark_compare.py

289.1 ms

benchmark_cell_list_creation

benchmarks/structure/benchmark_celllist.py

342.4 µs

benchmark_get_structure[cif-False]

benchmarks/structure/benchmark_pdbx.py

58.6 ms

benchmark_serialize_pdbx[cif]

benchmarks/structure/benchmark_pdbx.py

201 ms

benchmark_cell_list_compute_contacts[MASK]

benchmarks/structure/benchmark_celllist.py

21.8 ms

benchmark_indexing_from_sequences[11*11*1*1***111-BucketKmerTable(100000)]

benchmarks/sequence/align/benchmark_kmers.py

14.2 ms

benchmark_get_structure[cif-True]

benchmarks/structure/benchmark_pdbx.py

124.2 ms

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