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[ Източник: rdkit ]
Пакет: postgresql-13-rdkit (202009.4-1)
Връзки за postgresql-13-rdkit
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Изтегляне на пакет-източник rdkit.
Отговорници:
Външни препратки:
- Начална страница [www.rdkit.org]
Подобни пакети:
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
RDKit is a Python/C++ based cheminformatics and machine-learning software environment. Features Include:
* Chemical reaction handling and transforms * Substructure searching with SMARTS * Canonical SMILES * Molecule-molecule alignment * Large number of molecular descriptors, including topological, compositional, EState, SlogP/SMR, VSA and Feature-map vectors * Fragmentation using RECAP rules * 2D coordinate generation and depiction, including constrained depiction * 3D coordinate generation using geometry embedding * UFF and MMFF94 forcefields * Chirality support, including calculation of (R/S) stereochemistry codes * 2D pharmacophore searching * Fingerprinting, including Daylight-like, atom pairs, topological torsions, Morgan algorithm and MACCS keys * Calculation of shape similarity * Multi-molecule maximum common substructure * Machine-learning via clustering and information theory algorithms * Gasteiger-Marsili partial charge calculation
File formats RDKit supports include MDL Mol, PDB, SDF, TDT, SMILES and RDKit binary format.
This package contains the PostgreSQL extension.
Други пакети, свързани с postgresql-13-rdkit
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-
- dep: libc6 (>= 2.4)
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
-
- dep: libgcc-s1 (>= 3.0)
- GCC support library
-
- dep: librdkit1
- Collection of cheminformatics and machine-learning software (shared libraries)
-
- dep: libstdc++6 (>= 5.2)
- GNU Standard C++ Library v3
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- dep: postgresql-13
- The World's Most Advanced Open Source Relational Database
Изтегляне на postgresql-13-rdkit
Архитектура | Големина на пакета | Големина след инсталиране | Файлове |
---|---|---|---|
i386 | 348,7 кБ | 833,0 кБ | [списък на файловете] |