librdkit1 binary package in Ubuntu Noble arm64
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.
Publishing history
Date | Status | Target | Component | Section | Priority | Phased updates | Version | ||
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2024-04-07 04:38:07 UTC | Published | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.3-3build2 | ||
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Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-3build2 | |||
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2024-04-08 18:10:16 UTC | Deleted | Ubuntu Noble arm64 | updates | universe | libs | Optional | 202309.3-2 | ||
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2024-04-07 04:39:33 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.3-3build1 | ||
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2024-04-08 06:10:15 UTC | Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-3build1 | ||
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2024-03-29 03:56:46 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.3-3 | ||
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2024-03-30 06:10:16 UTC | Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-3 | ||
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2024-03-02 01:03:13 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.3-2 | ||
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2024-03-03 06:10:15 UTC | Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-2 | ||
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2024-01-22 18:42:27 UTC | Superseded | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-1build1 | ||
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2024-01-19 21:47:59 UTC | Superseded | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.3-1 | ||
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2024-02-23 21:06:01 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.2-1maysync1build1 | ||
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2024-02-25 00:10:14 UTC | Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.2-1maysync1build1 | ||
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2023-12-20 21:44:34 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202309.2-1maysync1 | ||
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2024-01-13 18:10:15 UTC | Deleted | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.2-1maysync1 | ||
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2023-11-28 13:11:01 UTC | Superseded | Ubuntu Noble arm64 | proposed | universe | libs | Optional | 202309.2-1 | ||
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2023-12-07 22:25:34 UTC | Superseded | Ubuntu Noble arm64 | release | universe | libs | Optional | 202303.3-1 | ||
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