Пакет: librdkit1 (202209.3-1 и други) [debports]
Връзки за librdkit1
Ресурси за Debian:
Изтегляне на пакет-източник .
Няма съвпаденияОтговорници:
Външни препратки:
- Начална страница [www.rdkit.org]
Подобни пакети:
Collection of cheminformatics and machine-learning software (shared libraries)
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 shared libraries.
Други пакети, свързани с librdkit1
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- dep: libboost-iostreams1.74.0 (>= 1.74.0) [hppa, riscv64]
- Boost.Iostreams Library
-
- dep: libboost-python1.49.0 (>= 1.49.0-1) [sh4, x32]
- Пакетът не е наличен
-
- dep: libboost-python1.74.0 (>= 1.74.0) [hppa, riscv64]
- Boost.Python Library
-
- dep: libboost-python1.74.0-py311 [riscv64]
- виртуален пакет, предлаган от libboost-python1.74.0
-
- dep: libboost-python1.74.0-py39 [hppa]
- Пакетът не е наличен
-
- dep: libboost-regex1.49.0 (>= 1.49.0-1) [sh4, x32]
- Пакетът не е наличен
-
- dep: libboost-serialization1.74.0 (>= 1.74.0) [hppa, riscv64]
- serialization library for C++
-
- dep: libc6 (>= 2.13) [sh4]
- GNU C Library: Shared libraries
също и виртуален пакет, предлаган от libc6-udeb
- dep: libc6 (>= 2.16) [x32]
- dep: libc6 (>= 2.29) [hppa]
- dep: libc6 (>= 2.34) [riscv64]
-
- dep: libcairo2 (>= 1.4.10) [riscv64]
- Cairo 2D vector graphics library
-
- dep: libcoordgen3 (>= 3.0.0) [hppa]
- 2D coordinate generation for chemical compounds
- dep: libcoordgen3 (>= 3.0.1) [riscv64]
-
- dep: libfreetype6 (>= 2.2.1) [hppa, riscv64]
- FreeType 2 font engine, shared library files
-
- dep: libgcc-s1 (>= 3.4) [riscv64]
- GCC support library
-
- dep: libgcc-s4 (>= 4.1.1) [hppa]
- GCC support library
-
- dep: libgcc1 [x32]
- Пакетът не е наличен
- dep: libgcc1 (>= 1:4.2.1) [sh4]
-
- dep: libmaeparser1 (>= 1.2.4) [hppa]
- parser for Schrödinger Maestro files
- dep: libmaeparser1 (>= 1.3.0) [riscv64]
-
- dep: libpython2.7 (>= 2.7) [sh4, x32]
- Пакетът не е наличен
-
- dep: libpython3.11 (>= 3.11.0) [riscv64]
- Shared Python runtime library (version 3.11)
-
- dep: libpython3.9 (>= 3.9.1) [hppa]
- Пакетът не е наличен
-
- dep: libstdc++6 [x32]
- GNU Standard C++ Library v3
- dep: libstdc++6 (>= 12) [riscv64]
- dep: libstdc++6 (>= 4.6) [sh4]
- dep: libstdc++6 (>= 9) [hppa]
Изтегляне на librdkit1
| Архитектура | Версия | Големина на пакета | Големина след инсталиране | Файлове |
|---|---|---|---|---|
| hppa (неофициална архитектура) | 202009.5-2 | 3 512,0 кБ | 17 194,0 кБ | [списък на файловете] |
| riscv64 (неофициална архитектура) | 202209.3-1 | 3 925,3 кБ | 15 642,0 кБ | [списък на файловете] |
| sh4 (неофициална архитектура) | 201212-1 | 2 234,2 кБ | 5 264,0 кБ | [списък на файловете] |
| x32 (неофициална архитектура) | 201212-1 | 1 968,8 кБ | 4 728,0 кБ | [списък на файловете] |