Greg Landrum 2620dcba2f first pass at constrained conformation generation

2008-07-15 05:31:45 +00:00

..

Catalogs

remove a bunch of compiler warnings

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

ChemicalFeatures

this is a mass of cleanup stuff; mostly line endings

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

DataManip/MetricMatrixCalc

these are no longer needed

2008-07-07 06:36:34 +00:00

DataStructs

initial version of Tversky similarity (feature request 2015633) along with a bit of refactoring

2008-07-11 11:13:03 +00:00

Demos

this is a mass of cleanup stuff; mostly line endings

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

DistGeom

these are no longer needed

2008-07-07 06:36:34 +00:00

Features

this is a mass of cleanup stuff; mostly line endings

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

ForceField

this is a mass of cleanup stuff; mostly line endings

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

Geometry

get rid of those irritating POSIX_C_SOURCE warnings

2008-07-08 06:59:59 +00:00

GraphMol

first pass at constrained conformation generation

2008-07-15 05:31:45 +00:00

ML

this is a mass of cleanup stuff; mostly line endings

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

Numerics

this is a mass of cleanup stuff; mostly line endings

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

PgSQL/RDLib

this is a mass of cleanup stuff; mostly line endings

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

Query

merge changes from QuerySerialization_6March2008 branch, revs 555:563, into the trunk;

2008-03-12 06:11:39 +00:00

RDBoost

get rid of those irritating POSIX_C_SOURCE warnings

2008-07-08 06:59:59 +00:00

RDGeneral

this is a mass of cleanup stuff; mostly line endings

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

SimDivPickers

this is a mass of cleanup stuff; mostly line endings

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

doxygen.config

(re)organize some of the documentation

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

Jamroot

this is a mass of cleanup stuff; mostly line endings

2008-07-07 13:21:24 +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