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Published February 8, 2016 | Version 1.0.1
Software Open

kripodb: 1.0.1

Authors/Creators

  • 1. Nederlands eScience Center

Description

Library to interact with Kripo fragment, fingerprint and similarity data files.

KRIPO stands for Key Representation of Interaction in POckets, see [reference](http://dx.doi.org/10.1186/1758-2946-6-S1-O26) for more information.

## 1.0.0 - 5 Feb 2016

### Added

- Convert fragments shelve to sqlite
- Convert SDF molecules file to sqlite
- Convert Makebits formated file to sqlite
- Create distance matrix using modified tanimoto coefficient in hdf5 format

Files

kripodb-1.0.1.zip

Files (3.5 MB)

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md5:86ce5cf58a4639f8d11b2a644ba9b412
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Additional details

Related works

Is supplement to
https://github.com/3D-e-Chem/kripodb/tree/1.0.1 (URL)