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fix: use rdkit API to remove implicit hydrogens
#2278
Merged
Comparing
njzjz:remove-implicit-hydrogen
(
19284b9
) with
master
(
f5a25e9
)
CodSpeed Performance Gauge
0%
Untouched
8
Benchmarks
Mode
CPU Simulation
Wall Time
Memory
Status
Untouched
8 total
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_hmm[reacnetgen_param3]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+2%
46.2 ms
45.4 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_hmm[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+1%
6.6 ms
6.5 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_hmm[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
+1%
6.6 ms
6.5 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_cli
tests/test_cli.py
CodSpeed Performance Gauge
0%
443.9 µs
442.2 µs
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_detect[reacnetgen_param2]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
0%
15.4 ms
15.4 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_detect[reacnetgen_param1]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
0%
15.4 ms
15.4 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_hmm[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
0%
45.5 ms
45.5 ms
Uses the
CPU Simulation instrument
to collect CPU performance metrics.
test_benchmark_detect[reacnetgen_param0]
tests/test_reacnetgen.py::TestReacNetGen
CodSpeed Performance Gauge
0%
6.3 ms
6.3 ms
Commits
Click on a commit to change the comparison range
Base
master
f5a25e9
+13%
fix: use rdkit API to remove implicit hydrogens
12b835a
1 year ago
by njzjz
-0.03%
type ignore
3619f96
1 year ago
by njzjz
-12.47%
revert re
19284b9
1 year ago
by njzjz
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