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iwatobipen 82ed7a16a2 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
2018-01-21 07:18:38 +01:00
..
cdk2.sdf
Add Fast cluster script (#1683)
2018-01-21 07:18:38 +01:00
converted.smi
Add Fast cluster script (#1683)
2018-01-21 07:18:38 +01:00
sdf2smi.py
Add Fast cluster script (#1683)
2018-01-21 07:18:38 +01:00