Пакунок: python3-rdkit (202409.4-1 and others)

Links for python3-rdkit

Debian Resources:

Download Source Package rdkit:

Maintainers:

External Resources:

Homepage [www.rdkit.org]

Similar packages:

Collection of cheminformatics and machine-learning software

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.

Інші пакунки пов'язані з python3-rdkit

depends

recommends

suggests

enhances

dep: fonts-freefont-ttf

Шрифти Truetype: Freefont Serif, Sans та Mono
dep: libboost-iostreams1.83.0 (>= 1.83.0) [sparc64]

Бібліотека Boost.Iostreams
dep: libboost-numpy1.83.0 (>= 1.83.0) [not alpha, hppa, sparc64]

Boost.Python NumPy extensions
dep: libboost-numpy1.83.0-py312 [m68k, ppc64, s390x]

virtual package provided by libboost-numpy1.83.0
dep: libboost-numpy1.83.0-py313 [amd64, arm64, mips64el, ppc64el, riscv64]

virtual package provided by libboost-numpy1.83.0
dep: libboost-python1.74.0 (>= 1.74.0) [hppa]

Boost.Python Library
dep: libboost-python1.74.0-py39 [hppa]

Пакунок недоступний
dep: libboost-python1.83.0 (>= 1.83.0) [not hppa]

Boost.Python Library
dep: libboost-python1.83.0-py312 [alpha, m68k, ppc64, s390x, sparc64]

virtual package provided by libboost-python1.83.0
dep: libboost-python1.83.0-py313 [amd64, arm64, mips64el, ppc64el, riscv64]

virtual package provided by libboost-python1.83.0
dep: libboost-regex1.83.0-icu72 [sparc64]

virtual package provided by libboost-regex1.83.0
dep: libboost-serialization1.74.0 (>= 1.74.0) [hppa]

serialization library for C++
dep: libboost-serialization1.83.0 (>= 1.83.0) [not hppa]

serialization library for C++
dep: libboost-system1.83.0 (>= 1.83.0) [sparc64]

Operating system (e.g. diagnostics support) library
dep: libc6 (>= 2.29) [hppa]

Бібліотека GNU C: спільні бібліотеки
also a virtual package provided by libc6-udeb

dep: libc6 (>= 2.32) [m68k, ppc64, s390x, sparc64]

dep: libc6 (>= 2.34) [amd64, arm64, mips64el, ppc64el, riscv64]
dep: libc6.1 (>= 2.34) [alpha]

Бібліотека GNU C: спільні бібліотеки
also a virtual package provided by libc6.1-udeb
dep: libcairo2 (>= 1.4.10) [not hppa]

Cairo 2D — бібліотека векторної графіки
dep: libcoordgen3 (>= 3.0.0) [hppa]

2D coordinate generation for chemical compounds

dep: libcoordgen3 (>= 3.0.2) [not hppa]
dep: libfreetype6 (>= 2.2.1) [sparc64]

Шрифтовий рушій FreeType 2, файли бібліотеки загального користування
dep: libgcc-s1 (>= 3.0) [not alpha, hppa, m68k, riscv64, sparc64]

Допоміжна бібліотека GCC

dep: libgcc-s1 (>= 3.4) [alpha, riscv64, sparc64]
dep: libgcc-s2 (>= 4.2.1) [m68k]

Допоміжна бібліотека GCC
dep: libgcc-s4 (>= 4.1.1) [hppa]

Допоміжна бібліотека GCC
dep: libinchi1.07 (>= 1.07.1+dfsg) [sparc64]

International Chemical Identifier (InChI) algorithm (library)
dep: libmaeparser1 (>= 1.2.4) [hppa]

parser for Schrödinger Maestro files

dep: libmaeparser1 (>= 1.3.1) [sparc64]
dep: libpython3.12t64 (>= 3.12.1) [alpha, sparc64]

Shared Python runtime library (version 3.12)
dep: libpython3.9 (>= 3.9.1) [hppa]

Пакунок недоступний
dep: librdkit1 [hppa]

Collection of cheminformatics and machine-learning software (shared libraries)
dep: librdkit1t64 (>= 202309.3) [alpha, sparc64]

Collection of cheminformatics and machine-learning software (shared libraries)

dep: librdkit1t64 (>= 202409.2) [m68k, ppc64, s390x]

dep: librdkit1t64 (>= 202409.4) [amd64, arm64, mips64el, ppc64el, riscv64]
dep: libstdc++6 (>= 13.1) [m68k]

Стандартна бібліотека C++ GNU, версії 3

dep: libstdc++6 (>= 14) [not hppa, m68k]

dep: libstdc++6 (>= 9) [hppa]
dep: python3

interactive high-level object-oriented language (default python3 version)

dep: python3 (<< 3.10) [hppa]

dep: python3 (<< 3.13) [alpha, m68k, ppc64, s390x, sparc64]

dep: python3 (<< 3.14) [amd64, arm64, mips64el, ppc64el, riscv64]

dep: python3 (>= 3.12~) [alpha, m68k, ppc64, s390x, sparc64]

dep: python3 (>= 3.13~) [amd64, arm64, mips64el, ppc64el, riscv64]

dep: python3 (>= 3.9~) [hppa]
dep: python3-numpy (>= 1:1.16.0~rc1) [hppa]

Python library for numerical computations (Python 3)

dep: python3-numpy (>= 1:1.25.0) [not hppa]
dep: python3-numpy-abi9

virtual package provided by python3-numpy
dep: rdkit-data

Collection of cheminformatics and machine-learning software (data files)

sug: rdkit-doc

Collection of cheminformatics and machine-learning software (documentation)

Завантажити python3-rdkit

Завантаження для всіх доступних архітектур
Архітектура	Версія	Розмір пакунка	Розмір після встановлення	Файли
alpha (unofficial port)	202309.3-4	4,105.1 kB	28,954.0 kB	[список файлів]
amd64	202409.4-1	4,532.0 kB	27,772.0 kB	[список файлів]
arm64	202409.4-1	4,212.5 kB	28,919.0 kB	[список файлів]
hppa (unofficial port)	202009.5-2	3,843.8 kB	24,156.0 kB	[список файлів]
m68k (unofficial port)	202409.2-2	4,153.6 kB	24,555.0 kB	[список файлів]
mips64el	202409.4-1	4,111.6 kB	31,307.0 kB	[список файлів]
ppc64 (unofficial port)	202409.2-2	4,170.0 kB	32,025.0 kB	[список файлів]
ppc64el	202409.4-1	4,354.0 kB	31,476.0 kB	[список файлів]
riscv64	202409.4-1	4,444.3 kB	24,943.0 kB	[список файлів]
s390x	202409.2-2	4,185.1 kB	26,078.0 kB	[список файлів]
sparc64 (unofficial port)	202309.3-6	3,957.3 kB	67,971.0 kB	[список файлів]