pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-06 22:39:55 +08:00
Code Issues Packages Projects Releases Wiki Activity
Files
Release_2020_03
rdkit/Code/GraphMol/Fingerprints
History
greg landrum 209d6f7e11 Merge branch 'master' of https://github.com/daenuprobst/rdkit into daenuprobst-master
2020-03-21 14:11:22 +01:00
..
testData
forgot to add the test files
2016-03-15 02:51:20 -07:00
testExecs
Unset executable flag
2019-10-10 20:18:43 +09:00
Wrap
Merge branch 'master' of https://github.com/daenuprobst/rdkit into daenuprobst-master
2020-03-21 14:11:22 +01:00
AtomPairGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
AtomPairGenerator.h
add the appropriate exports for the new fingerprint code (#2098)
2018-10-08 11:10:23 +02:00
AtomPairs.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
AtomPairs.h
Change boost int types to std types (#2233)
2019-01-22 17:45:03 +01:00
catch_tests.cpp
a bunch of changes to the new fingerprinter code (#2679)
2019-10-10 10:14:47 -04:00
CMakeLists.txt
Updated CMakeLists
2019-09-12 16:41:37 +02:00
FingerprintGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
FingerprintGenerator.h
Override what() in exceptions (Addresses #2920) (#2928)
2020-02-05 08:20:17 +01:00
Fingerprints.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
Fingerprints.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
FingerprintUtil.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
FingerprintUtil.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MACCS.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
MACCS.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00
MHFP.cpp
Fixed final requests from PR
2020-03-19 23:40:10 +01:00
MHFP.h
Fixed final requests from PR
2020-03-19 23:40:10 +01:00
MorganFingerprints.cpp
Merge branch 'master' into MorseAtomFingerprint
2020-03-04 11:53:45 +01:00
MorganFingerprints.h
Merge branch 'master' into MorseAtomFingerprint
2020-03-04 11:53:45 +01:00
MorganGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
MorganGenerator.h
a bunch of changes to the new fingerprinter code (#2679)
2019-10-10 10:14:47 -04:00
PatternFingerprints.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
RDKitFPGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
RDKitFPGenerator.h
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
test1.cpp
Merge branch 'MorseAtomFingerprint' of https://github.com/thegodone/rdkit into MorseAtomFingerprint
2020-03-04 12:35:32 +01:00
testFingerprintGenerators.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
testMHFPFingerprint.cpp
Fixed final requests from PR
2020-03-19 23:40:10 +01:00
TopologicalTorsionGenerator.cpp
run clang-tidy with readability-braces-around-statements (#2899)
2020-01-25 14:19:32 +01:00
TopologicalTorsionGenerator.h
clang-tidy-7 pass (#2408)
2019-04-16 12:05:47 -04:00