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reacnetgenerator
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feat(output): add optional timed molecule output

#2436Merged
Comparing
hcustc:feat/timed-molecule-output
(
f750792
) with
master
(
6092d9d
)
CodSpeed Performance Gauge
+11%
Improvement
3
Untouched
6
Skipped
8

Benchmarks

17 total
test_benchmark_hmm[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+11%
2.2 ms2 ms
test_benchmark_hmm[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+11%
2.2 ms2 ms
test_benchmark_hmm[reacnetgen_param3]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+10%
12.9 ms11.7 ms
test_benchmark_hmm[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+10%
12.9 ms11.8 ms
test_bench_module_import
tests/test_cli.py
CodSpeed Performance Gauge
+4%
53.1 ms50.9 ms
test_cli
tests/test_cli.py
CodSpeed Performance Gauge
+2%
60.3 ms58.9 ms
test_benchmark_detect[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+2%
3.8 ms3.8 ms
test_benchmark_detect[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+1%
3.8 ms3.8 ms
test_benchmark_detect[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-3%
823.4 µs852.4 µs
test_benchmark_hmm[reacnetgen_param3]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
51.5 ms*
test_benchmark_detect[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
5.6 ms*
test_benchmark_hmm[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
51.4 ms*
test_benchmark_hmm[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
8.2 ms*
test_bench_module_import[reacnetgenerator.commandline]
tests/test_cli.py
Skipped
795.8 µs*
test_benchmark_detect[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
14 ms*
test_benchmark_hmm[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
8.2 ms*
test_benchmark_detect[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
Skipped
14 ms*

Commits

Click on a commit to change the comparison range
Base
master
6092d9d
-2.68%
[pre-commit.ci] auto fixes from pre-commit.com hooks
7aa0408
21 days ago
by pre-commit-ci[bot]
+3.34%
Potential fix for pull request finding
e989735
20 days ago
by hcustc
+28.04%
fix review comments
72a3552
20 days ago
by hcustc-bot
-27.59%
feat(filters): enhance molecule frame and timestep handling with normalization and filtering logic
df255b6
20 days ago
by hcustc-bot
+1.19%
feat(path): optimize molecule filtering logic for improved performance
9fa09c6
20 days ago
by hcustc-bot
-15.71%
Optimize molecule timeline CSV output
4ea2c68
13 days ago
by hcustc-bot
+24.01%
[pre-commit.ci] auto fixes from pre-commit.com hooks
f750792
8 days ago
by pre-commit-ci[bot]
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