Greg Landrum dc87df759a merge in layered fingerprints branch (https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/LayeredFingerprints_22Nov2008), revs 889:922

2008-12-11 04:55:08 +00:00

..

Catalogs

remove a bunch of compiler warnings

2008-05-26 20:05:57 +00:00

ChemicalFeatures

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

DataManip/MetricMatrixCalc

merge revs 877:893 from mingw branch back onto trunk. This builds and passes tests on mingw

2008-11-24 16:43:37 +00:00

DataStructs

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

Demos

add a couple of things for faster similarity searching

2008-12-08 14:26:19 +00:00

DistGeom

merge revs 877:893 from mingw branch back onto trunk. This builds and passes tests on mingw

2008-11-24 16:43:37 +00:00

Features

this is a mass of cleanup stuff; mostly line endings

2008-07-07 13:21:24 +00:00

ForceField

fix a warning and a round-off problem

2008-12-04 07:20:55 +00:00

Geometry

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

GraphMol

merge in layered fingerprints branch (https://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/LayeredFingerprints_22Nov2008), revs 889:922

2008-12-11 04:55:08 +00:00

ML

merge revs 877:893 from mingw branch back onto trunk. This builds and passes tests on mingw

2008-11-24 16:43:37 +00:00

Numerics

merge revs 877:893 from mingw branch back onto trunk. This builds and passes tests on mingw

2008-11-24 16:43:37 +00:00

PgSQL/RDLib

this is a mass of cleanup stuff; mostly line endings

2008-07-07 13:21:24 +00:00

Query

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

RDBoost

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

RDGeneral

Merge changes from the iterative chirality branch:

2008-09-19 09:40:15 +00:00

SimDivPickers

this is probably a ways from done, but now at least we can run bjam under mingw without it immediately erroring out

2008-11-15 17:14:13 +00:00

doxygen.config

(re)organize some of the documentation

2008-07-14 03:53:20 +00:00

Jamroot

add a darwin-specific change

2008-11-16 09:32:53 +00:00

notes.txt

initial import

2006-05-06 22:20:08 +00:00

test_list.py

merge revs 736:741 from branch http://rdkit.svn.sourceforge.net/svnroot/rdkit/branches/NumPyPort_27June2008

2008-07-05 07:42:38 +00:00