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singa-all release 0.3.3

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@fkaiserbio fkaiserbio released this 02 May 12:27
· 474 commits to master since this release
0.3.3
7153947

Updates and features

Mathematics

  • adds implementation of the RI Subgraph Finder algorithm
  • moved graph parsing from singa-simulation to singa-mathematics

Feature

  • reimplemented feature retrieval process
  • identifiers from databases are now features and can be mapped via UniChem

Structure

  • added fragment-based superimposition
  • added detection of molecule subgraphs
  • added access to PDB REST API
  • fixed issues with PDB file parsing
  • improved parsing of PLIP files

Installation

You can add all SiNGA to your project by adding the following dependency to your pom.xml.

<dependency>
    <groupId>de.bioforscher.singa</groupId>
    <artifactId>'artifact'</artifactId>
    <version>0.3.3</version>
</dependency>
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