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Releases: RMeli/spyrmsd

Improved Documentation

05 Apr 08:52
@RMeli RMeli
0.3.2
757ef0e
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Improved Documentation

Improved documentation with installation instructions and tutorial.

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graph-tool Support and Refactoring

25 Feb 10:05
@RMeli RMeli
0.3.0
1c0d03a
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graph-tool Support and Refactoring

graph-tool support (default) and general refactoring.

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Cached Graph Isomorphism

12 Feb 10:48
@RMeli RMeli
0.2.1
4970dff
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Cached Graph Isomorphism

Cached graph isomorphism for improved speed.

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Graph Isomorphism with Atom Matching

03 Feb 20:44
@RMeli RMeli
0.2.0
7cca5d8
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Graph Isomorphism with Atom Matching

Graph isomorphism with atom matching using atomic numbers.

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PyPI

31 Jan 16:57
@RMeli RMeli
0.1.2
adc5cf5
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PyPI

First version to be published on PyPI.

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Zenodo

30 Jan 19:08
@RMeli RMeli
0.1.1
1f292f3
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Zenodo

Zenodo release.

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Rebranding and Documentation

27 Jan 21:38
@RMeli RMeli
0.1.0
1f292f3
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Rebranding and Documentation

Changed name from pyRMSD to spyRMSD and added API documentation with sphinx and Read the Docs.

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RDKit Support

26 Nov 16:34
@RMeli RMeli
0.0.5
4cfb733
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RDKit Support

rdkit support for molecular I/O.

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CLI RMSD Tool

09 Nov 15:04
@RMeli RMeli
0.0.4
2da7c59
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CLI RMSD Tool

CLI RMSD

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Graph Isomorphism

05 Nov 18:12
@RMeli RMeli
0.0.3
75368bc
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Graph Isomorphism

Graph isomorphism based on netrowkx.

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