Paket: libsignatures-java (1.1.10.g614270e+ds-1)

[ Kaynak: libsignatures-java  ]

graph signature library for molecules

This project is a re-write of Jean-Loup Faulon's signature code for molecules, to make it toolkit independent. Signatures are ultimately canonical representations of whole molecules or atom valence environments. For example, the canonical signature for benzene might be as simple as: C(C(C(C1))C(C(C1))) where brackets denote branching and numbers indicate joining (as with SMILES).

Signatures can be used as descriptors for atom or molecule environments, much like HOSE codes. They can also be used for structure enumeration.

libsignatures-java ile İlgili Diğer Paketler

• dep: libmaven-compiler-plugin-java (>= 3.8.1)

  Maven Compiler plugin

• dep: libmaven-jar-plugin-java (>= 3.1.2)

  Maven Jar Plugin

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Tüm mevcut mimariler için indir

Mimari	Paket Boyutu	Kurulu Boyut	Dosyalar
all	43,6 kB	68,0 kB	[dosya listesi]