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reacnetgenerator
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feat(output): add optional timed molecule output

#2436
Comparing
hcustc:feat/timed-molecule-output
(
4ea2c68
) with
master
(
520aa7a
)
CodSpeed Performance Gauge
-13%
Regression
2
Untouched
7
Skipped
8

Benchmarks

17 total
test_benchmark_hmm[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-13%
1.9 ms2.2 ms
test_benchmark_hmm[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-13%
1.9 ms2.2 ms
test_benchmark_detect[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+3%
858.3 µs831.3 µs
test_cli
tests/test_cli.py
CodSpeed Performance Gauge
+1%
61.7 ms61 ms
test_bench_module_import
tests/test_cli.py
CodSpeed Performance Gauge
+1%
53.8 ms53.3 ms
test_benchmark_detect[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-1%
3.8 ms3.9 ms
test_benchmark_detect[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-1%
3.8 ms3.9 ms
test_benchmark_hmm[reacnetgen_param3]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-5%
12.4 ms13 ms
test_benchmark_hmm[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
-5%
12.3 ms13 ms
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
520aa7a
-2.68%
[pre-commit.ci] auto fixes from pre-commit.com hooks
7aa0408
10 days ago
by pre-commit-ci[bot]
+3.34%
Potential fix for pull request finding
e989735
9 days ago
by hcustc
+28.04%
fix review comments
72a3552
9 days ago
by hcustc-bot
-27.59%
feat(filters): enhance molecule frame and timestep handling with normalization and filtering logic
df255b6
9 days ago
by hcustc-bot
+1.19%
feat(path): optimize molecule filtering logic for improved performance
9fa09c6
9 days ago
by hcustc-bot
-15.71%
Optimize molecule timeline CSV output
4ea2c68
2 days ago
by hcustc-bot
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