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<h3>
Andrius Merkys pushed to branch upstream
at <a href="https://salsa.debian.org/java-team/openchemlib">Debian Java Maintainers / openchemlib</a>
</h3>
<h4>
Commits:
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<strong><a href="https://salsa.debian.org/java-team/openchemlib/-/commit/ba6b53da47c540e21efc94183eec39576fcc7d7d">ba6b53da</a></strong>
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<span>by Andrius Merkys</span>
<i>at 2021-01-11T07:59:35-05:00</i>
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<pre class="commit-message" style="white-space: pre-wrap; margin: 0;">New upstream version 2021.1.0+dfsg</pre>
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<h4>30 changed files:</h4>
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<a href="#442292b8a7efeabbe4cc176709b833b1792140ec">
pom.xml
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<li class="file-stats">
<a href="#b6b48a52ea2f6eb3d133e15998d45c7ef4cae1ab">
src/main/java/com/actelion/research/calc/combinatorics/CombinationGenerator.java
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<li class="file-stats">
<a href="#67800693fa8bb7e226e47f0411ca790ea518c656">
src/main/java/com/actelion/research/chem/Canonizer.java
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<a href="#34824cbe6cb0f025d4d3f9af8d6256a3d340525e">
src/main/java/com/actelion/research/chem/DiversitySelector.java
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<a href="#c69780a7b3d89963683eb9d0b8c009be31f18b25">
src/main/java/com/actelion/research/chem/Mutation.java
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<a href="#a00ceed8d5b0f2ffdd41a2cd6238a7f8582d4c76">
src/main/java/com/actelion/research/chem/Mutator.java
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<a href="#2324bbf7db1501a1bb2aaae4a1db707a20b5f9b1">
src/main/java/com/actelion/research/chem/coords/CoordinateInventor.java
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<a href="#aee216dfb665b94335b6bfb0f041cbbdeadaeb69">
src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerFlexophore.java
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src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerHashedPharmSphere.java
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src/main/java/com/actelion/research/chem/descriptor/DescriptorHandlerPharmPath.java
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src/main/java/com/actelion/research/chem/descriptor/FingerPrintGeneratorPharmGraph.java
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<a href="#2e38873e6843bcee5b0b3532ddd49c0a0570e0fb">
src/main/java/com/actelion/research/chem/descriptor/flexophore/ConstantsFlexophore.java
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<li class="file-stats">
<a href="#848ff0a267a24996442ab1f307aef324a7e6e5ea">
src/main/java/com/actelion/research/chem/descriptor/flexophore/DistHistHelper.java
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<a href="#22aecffe5ffda60d6bba33af7d81043276acb46f">
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src/main/java/com/actelion/research/chem/descriptor/flexophore/IDescriptorHandlerFlexophore.java
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src/main/java/com/actelion/research/chem/descriptor/flexophore/IPPNode.java
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src/main/java/com/actelion/research/chem/descriptor/flexophore/ModelSolutionSimilarity.java
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<a href="#d964edbae20e09cbce5c1233058a31fc47b9e866">
src/main/java/com/actelion/research/chem/descriptor/flexophore/MolDistHistViz.java
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<li class="file-stats">
<a href="#657809114bb3888849811a77765a7435efa98d07">
src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNode.java
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<a href="#4618b8dce255a4fbddc787cb53ae1858e94b6d80">
src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeViz.java
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<a href="#015d609524311d3050fc7d8ac03c1d4355e2b476">
src/main/java/com/actelion/research/chem/descriptor/flexophore/PPNodeVizTriangle.java
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<a href="#c2197d46e095b8cfd5d5e940fec8d3728653788d">
src/main/java/com/actelion/research/chem/descriptor/flexophore/SlidingWindowDistHist.java
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<a href="#d139d9f898e911ee94acf57a34a600c3b949495f">
src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/HistogramMatchCalculator.java
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<li class="file-stats">
<a href="#3d875e1cd8785af68ab41df583dade2705312d9f">
src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/IPPNodeSimilarity.java
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<li class="file-stats">
<a href="#32943cdb0e248053d475693d07df3b36f28244bf">
src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/ObjectiveFlexophoreHardMatchUncovered.java
→
src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/ObjectiveBlurFlexophoreHardMatchUncovered.java
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<li class="file-stats">
<a href="#4196854a9684810a9e2daa15712fa52b4026cd7c">
src/main/java/com/actelion/research/chem/descriptor/flexophore/completegraphmatcher/PPNodeSimilarity.java
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<a href="#53644f8fdeac019d663bcf78d973c6c33e7e0b47">
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src/main/java/com/actelion/research/chem/descriptor/flexophore/example/MatchFlexophoreNodesMain.java
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<a href="#0a63218c74989067a660fa50ae242a235586f8ac">
src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/ConstantsFlexophoreGenerator.java
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<li class="file-stats">
<a href="#42976117f38fa37d60dd738b507feb19719d5616">
src/main/java/com/actelion/research/chem/descriptor/flexophore/generator/CreatorMolDistHistViz.java
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<li class="file-stats">
<a href="#583a8234b164fc81cf436827ea1a063f63cff050">
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src/main/java/com/actelion/research/chem/descriptor/pharmacophoregraph/PharmGraphGenerator.java
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<a href="#ca06e840bcda4ce30bd01ea8e3e56c05f88191da">
src/main/java/com/actelion/research/chem/descriptor/pharmacophoretree/PharmacophoreNode.java
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<h5>The diff was not included because it is too large.</h5>
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