iwatobipen 15dcf024f0 Add Fast cluster script (#1683) ...

* add Fastcluster

* readme

* readme

* readme

* readme

* readme

* readme

* readme

* example

* Update README.md

These are just a few minor changes

* revise fastcluster

* revise code

* .gitignore

* revise code

* remove gitignore and revised sdf2smi.py with SmilesMolWriter

2018-01-05 16:13:00 +00:00

..

AtomAtomSimilarity

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

ConformerParser

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

Fastcluster

Add Fast cluster script (#1683)

2018-01-05 16:13:00 +00:00

fraggle

Python 3 compatibility (issue #398) (#1192)

2016-12-16 08:11:28 +01:00

Glare

Python 3 compatibility (issue #398) (#1192)

2016-12-16 08:11:28 +01:00

LEF

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

M_Kossner

Replace has_key use in Python (#issue1042) (#1132)

2016-10-29 04:41:57 +02:00

mmpa

Fixes #1406 (#1408)

2017-05-07 18:34:41 -04:00

NP_Score

NP Likeness with confidence value (#1608)

2017-10-26 17:39:46 +02:00

PBF

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

pzc

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

RxnRoleAssignment

Update README.txt

2016-11-28 10:17:10 +01:00

SA_Score

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

CMakeLists.txt

option to build Contrib with RDKit added

2014-04-08 09:38:45 +02:00