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Port alphabet codec to Rust

#876Merged
Comparing
padix-key:rust-alphabet
(
c0e31af
) with
rust
(
9c2c6b2
)
CodSpeed Performance Gauge
-54%
Improvement
20
Regression
3
Untouched
64
New
3
Skipped
11

Benchmarks

101 total
benchmark_connect[connect_via_residue_names]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
×12
50.6 ms4.3 ms
benchmark_connect[connect_via_distances]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
×10
26.1 ms2.6 ms
benchmark_get_structure_with_bonds
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×8.4
77.3 ms9.2 ms
benchmark_get_coord
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×7.2
4,239.1 µs584.9 µs
benchmark_partial_charges
benchmarks/structure/benchmark_charges.py
CodSpeed Performance Gauge
×5
724.8 µs144.2 µs
benchmark_get_structure
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×5
20.1 ms4 ms
benchmark_get_remark
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×4.4
757.8 µs171.5 µs
benchmark_bond_list_creation
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
×3
813.5 µs269 µs
benchmark_set_structure
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×2.9
34.2 ms11.7 ms
benchmark_set_structure_with_bonds
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
×2.9
34.2 ms11.8 ms
benchmark_cell_list_creation
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
×2.8
940.1 µs338.5 µs
benchmark_get_structure[bcif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
×2.4
81.6 ms33.8 ms
benchmark_get_bonds
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
×2.1
15.3 ms7.3 ms
benchmark_read
benchmarks/structure/benchmark_pdb.py
CodSpeed Performance Gauge
+66%
3.5 ms2.1 ms
benchmark_get_structure[cif-True]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+60%
124.7 ms77.9 ms
benchmark_concatenate
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+54%
317.5 µs206.8 µs
benchmark_conversion[get_all_bonds]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+20%
180.2 µs149.7 µs
benchmark_get_all_bonds
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+20%
181.7 µs151.4 µs
benchmark_deserialize_pdbx[bcif]
benchmarks/structure/benchmark_pdbx.py
CodSpeed Performance Gauge
+11%
110.6 ms100 ms
benchmark_conversion[bond_type_matrix]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
+10%
1.4 ms1.3 ms
benchmark_cell_list_compute_contacts[MAPPING]
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
N/A
N/A17.6 ms
benchmark_cell_list_compute_contacts[MASK]
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
N/A
N/A20.5 ms
benchmark_cell_list_compute_contacts[PAIRS]
benchmarks/structure/benchmark_celllist.py
CodSpeed Performance Gauge
N/A
N/A17.9 ms
benchmark_conversion[as_graph]
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
-27%
8.7 ms12 ms
benchmark_find_rotatable_bonds
benchmarks/structure/benchmark_bonds.py
CodSpeed Performance Gauge
-54%
43.9 ms96.2 ms

Commits

Click on a commit to change the comparison range
Base
main
9c2c6b2
-54.38%
Port alphabet codec to Rust
c0e31af
26 days ago
by padix-key
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