Package: librdkit1 (202009.5-2) [debports]
Links for librdkit1
Debian Resources:
Download Source Package :
Not foundMaintainers:
External Resources:
- Homepage [www.rdkit.org]
Similar packages:
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.
Other Packages Related to librdkit1
|
|
|
|
-
- dep: libboost-iostreams1.74.0 (>= 1.74.0)
- Boost.Iostreams Library
-
- dep: libboost-python1.74.0 (>= 1.74.0)
- Boost.Python Library
-
- dep: libboost-python1.74.0-py39
- Package not available
-
- dep: libboost-serialization1.74.0 (>= 1.74.0)
- serialization library for C++
-
- dep: libc6 (>= 2.29)
- GNU C Library: Shared libraries
also a virtual package provided by libc6-udeb
-
- dep: libcoordgen3 (>= 3.0.0)
- 2D coordinate generation for chemical compounds
-
- dep: libfreetype6 (>= 2.2.1)
- FreeType 2 font engine, shared library files
-
- dep: libgcc-s4 (>= 4.1.1)
- GCC support library
-
- dep: libmaeparser1 (>= 1.2.4)
- parser for Schrödinger Maestro files
-
- dep: libpython3.9 (>= 3.9.1)
- Package not available
-
- dep: libstdc++6 (>= 9)
- GNU Standard C++ Library v3
Download librdkit1
Architecture | Package Size | Installed Size | Files |
---|---|---|---|
hppa (unofficial port) | 3,512.0 kB | 17,194.0 kB | [list of files] |