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/MetFrag forked from ipb-halle/MetFrag

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Tree: 41754b08e2
Commits on Oct 31, 2019

  1. Update README.md

    @schymane
    schymane committed Oct 31, 2019 
    Updated main MetFrag URL
    41754b0
Commits on Dec 8, 2014

  1. updated fragmenter and scoring

    Ruttkies
    Ruttkies committed Dec 8, 2014
    4590308
Commits on Oct 8, 2014

  1. Update README.md

    c-ruttkies
    c-ruttkies committed Oct 8, 2014
    0987e1d

  2. Update README.md

    c-ruttkies
    c-ruttkies committed Oct 8, 2014
    06bdd9e
Commits on Jun 18, 2014

  1. updated chemspider client

    cruttkie
    cruttkie committed Jun 18, 2014
    fc31be4
Commits on Jun 5, 2014

  1. changes to chemspider client

    cruttkie
    cruttkie committed Jun 5, 2014
    c7c21e8
Commits on Jun 4, 2014

  1. updated chemspider client

    c-ruttkies
    c-ruttkies committed Jun 4, 2014
    06db79e

  2. updated chemspider client

    cruttkie
    cruttkie committed Jun 4, 2014
    021c1e2
Commits on Jun 2, 2014

  1. adapted chemspider csid search

    rumpel
    rumpel committed Jun 2, 2014
    9e6a213

  2. updated chemspider database query

    rumpel
    rumpel committed Jun 2, 2014
    4d63f06
Commits on May 27, 2014

  1. added workaround for non-retrieved candidates from chemspider

    cruttkie
    cruttkie committed May 27, 2014
    f507efb
Commits on Apr 9, 2014

  1. fixed bug with identical fragment check

    rumpel
    rumpel committed Apr 9, 2014
    0a1e3de
Commits on Feb 26, 2014

  1. fixed bug: reading wrong mode value

    cruttkie
    cruttkie committed Feb 26, 2014
    9efbe8e

  2. fixed bug: reading wrong mode value

    cruttkie
    cruttkie committed Feb 26, 2014
    18ddf9f
Commits on Feb 25, 2014

  1. removed bug: reading wrong mode value

    c-ruttkies
    c-ruttkies committed Feb 25, 2014
    dc03cf8
Commits on Feb 19, 2014

  1. changed help message

    cruttkie
    cruttkie committed Feb 19, 2014
    2544583

  2. changes for the output of raw scores

    cruttkie
    cruttkie committed Feb 19, 2014
    7d8bcc4
Commits on Nov 8, 2013

  1. changed from MDLV2000Reader to IteratingMDLReader

    cruttkie
    cruttkie committed Nov 8, 2013
    f1b61b8
Commits on Sep 25, 2013

  1. Fixed bug in FragmenterThread.java

    cruttkie
    cruttkie committed Sep 25, 2013
    222d2a5
Commits on Jul 1, 2013

  1. Added range parameter in the commandline tool; Added .project file; F…

    cruttkie
    cruttkie committed Jul 1, 2013 
    …ixed some bugs
    bd5e64f
Commits on Jun 27, 2013

  1. Added range parameter to commandline tool

    cruttkie
    cruttkie committed Jun 27, 2013 
    Removed a bug in formula search of pubchem
    106598f
Commits on Jan 18, 2013

  1. Removed lib/cdk-1.3.5.jar lib/cdk-1.3.6.jar

    cruttkie
    cruttkie committed Jan 18, 2013
    39f3ddb
Commits on Jan 17, 2013

  1. Added MetFrag sources

    c-ruttkies
    c-ruttkies committed Jan 17, 2013
    6cd8232

  2. Initial commit

    c-ruttkies
    c-ruttkies committed Jan 17, 2013
    9e25c90
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