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rdkit
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Greg Landrum
36599e9ac3
add a script for benchmarking fingerprint screenout and substructure performance (
#2523
)
...
* add fingerprint_screenout script to benchmarking suite * cleanup * simplification
2019-07-03 04:54:10 +02:00
..
bench_cartridge.sql
update cartridge benchmarking script
2012-10-07 04:38:27 +00:00
chiral_embed.py
Remove a bunch of Python2-related warts (
#2315
)
2019-03-06 20:43:49 -05:00
fingerprint_screenout.py
add a script for benchmarking fingerprint screenout and substructure performance (
#2523
)
2019-07-03 04:54:10 +02:00
new_timings.py
update benchmarking scripts
2019-04-03 08:02:39 +02:00
timings.py
update benchmarking scripts
2019-04-03 08:02:39 +02:00