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SMSD-2.0.0

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@asad asad released this 12 Jun 09:40
· 79 commits to master since this release

Major improvements

a) Improved VF2 algorithm
b) VFMCS seed generation
c) MCS mapping with more combinations.
d) Quashed all known bugs!!
e) Mavin style code implemented


Maven POM configuration

<dependencies>
    <dependency>
        <groupId>uk.ac.ebi.smsd</groupId>
        <artifactId>smsd-core</artifactId>
        <version>2.0.0</version>
    </dependency>
    <dependency>
        <groupId>uk.ac.ebi.smsd</groupId>
        <artifactId>smsd-exec</artifactId>
        <version>2.0.0</version>
    </dependency>
</dependencies>

THIRD PARTY TOOL

You need the CDK (https://github.com/cdk/cdk) as SMSD depends on the CDK for processing the Chemical information.

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