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RDKIT

  • RDKit

    • Open-source toolkit for cheminformatics

    RDKit is open-source toolkit for cheminformatics. It was developed by Greg Landrum with numerous additional contributions from the RDKit open source community

    RDKit

    RDKit

  • Python (programming language)

    • General-purpose programming language

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Python (programming language)

    Python (programming language)

    Python_(programming_language)

  • Aromaticity (cheminformatics)

    • Computational methods for identifying aromatic ring systems

    plus envelope rings for small fused systems) RDKit provides multiple aromaticity models: AROMATICITY_RDKIT (default): Rule-based, follows 4n+2 with consideration

    Aromaticity (cheminformatics)

    Aromaticity_(cheminformatics)

  • Simplified Molecular Input Line Entry System

    • Chemical species structure notation

    Bioclipse Blue Obelisk Chemistry Development Kit ECCE JOELib OELib Open Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK Chemical

    Simplified Molecular Input Line Entry System

    Simplified Molecular Input Line Entry System

    Simplified_Molecular_Input_Line_Entry_System

  • Flask (web framework)

    • Python web framework

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Flask (web framework)

    Flask (web framework)

    Flask_(web_framework)

  • Molecular descriptor

    • yapcwsoft.com/dd/padeldescriptor/ RDKit Yes Yes Yes Yes No No Yes Last update 2024 Free open source https://github.com/rdkit/rdkit scikit-fingerprints Yes Yes

    Molecular descriptor

    Molecular_descriptor

  • Pandas (software)

    • Python library for data analysis

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Pandas (software)

    Pandas (software)

    Pandas_(software)

  • NumPy

    • Python library for numerical programming

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    NumPy

    NumPy

    NumPy

  • List of cheminformatics toolkits

    • Java, Perl, C#, Ruby http://openbabel.org/ , RDKit BSD-3-Clause License C++, Python https://www.rdkit.org/ CDPKit LGPL-2.1 C++, Python https://cdpkit

    List of cheminformatics toolkits

    List_of_cheminformatics_toolkits

  • Scikit-learn

    • Python library for machine learning

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Scikit-learn

    Scikit-learn

    Scikit-learn

  • Anaconda (Python distribution)

    • Python distribution

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Anaconda (Python distribution)

    Anaconda_(Python_distribution)

  • List of Python software

    • PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    List of Python software

    List_of_Python_software

  • SciPy

    • Open-source Python library for scientific computing

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    SciPy

    SciPy

    SciPy

  • List of free and open-source software packages

    • Avogadro Biskit Chemistry Development Kit Gabedit Ghemical JOELib Open Babel RDKit SHELX Cantera CASINO CONQUEST DP code EXC code FDMNES Internal Coordinate

    List of free and open-source software packages

    List_of_free_and_open-source_software_packages

  • List of computational chemistry software

    • toolkit Open-source Pipeline Pilot Cheminformatics workflow Commercial RDKit Cheminformatics and ML Open-source SAMSON Modeling platform Commercial Scigress

    List of computational chemistry software

    List_of_computational_chemistry_software

  • Quantitative structure–activity relationship

    • Predictive chemical model

    Retrieved 13 August 2023. 15. Scikit-Mol Integration of Scikit-learn models and RDKit featurization scikit-mol on pypi.org 16. scikit-fingerprints Molecular fingerprints

    Quantitative structure–activity relationship

    Quantitative_structure–activity_relationship

  • Glide (docking)

    • Molecular modeling software

    Bioclipse Blue Obelisk Chemistry Development Kit ECCE JOELib OELib Open Babel RDKit Proprietary AlvaDesc Canvas Chemicalize Discovery Studio OEChem TK Chemical

    Glide (docking)

    Glide_(docking)

  • Django (web framework)

    • Python web framework

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Django (web framework)

    Django (web framework)

    Django_(web_framework)

  • Biopython

    • Collection of open-source Python software tools for computational biology

    PyroBot library PySide PyTorch PyTorch Lightning Python-Ogre Qiskit QLattice RDKit RPyC Sage Manifolds SageMath ScientificPython scikit-learn scikit-multiflow

    Biopython

    Biopython

    Biopython

  • List of open-source code libraries

    • Python Apache 2.0 Query Abstraction Layer Python MIT RDFLib Python MIT RDKit Python BSD-3 Requests Python Apache 2.0 RPyC Python GPL-2.0 Sage Manifolds

    List of open-source code libraries

    List_of_open-source_code_libraries

  • Comparison of software for molecular mechanics modeling

    • force fields, DFT and semi-empirical methods, conformational analysis with RDKit; partly GPU-accelerated Proprietary, commercial, gratis trial SCM Ascalaph

    Comparison of software for molecular mechanics modeling

    Comparison_of_software_for_molecular_mechanics_modeling

  • SAMSON

    • PMID 34771379. SAMSON Connect SAMSON 0.7.0 is available - Macs in Chemistry RDKit in SAMSON - Macs in Chemistry Vaucher, Alain C.; Reiher, Markus (2016).

    SAMSON

    SAMSON

    SAMSON

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Online names & meanings

  • Bassanio

    • Boy/Male

    Shakespearean

    Bassanio

    The Merchant of Venice' Friend to Antonia, who borrows from Antonio to pursue his successful suit...

  • Warth

    • Surname or Lastname

    English

    Warth

    English : habitational name from for example Warth in Glouceshire or Ward in Devon, which are named with Old English waroð ‘marshy ground by a shore or stream’ or from any of various minor places named with Old Norse varða ‘beacon’ (a derivative of varða ‘to guard’).German : habitational name from any of various places named with an Old High German cognate of this element.

  • Subinay

    • Boy/Male

    Gujarati, Hindu, Indian, Kannada, Malayalam, Marathi, Telugu

    Subinay

    Humble

  • Veydant

    • Boy/Male

    Gujarati, Hindu, Indian, Kannada, Malayalam, Marathi

    Veydant

    Sum of the Vedas

  • Gionnan

    • Boy/Male

    Gaelic

    Gionnan

    Fair skinned.

  • Abdus Subhan |

    • Boy/Male

    Muslim

    Abdus Subhan |

    Servant of the glory (Allah)

  • Ragna

    • Girl/Female

    Norse

    Ragna

    Goddess or warrior.

  • ADONIYAH

    • Male

    Hebrew

    ADONIYAH

    (אֲדּׄנִיָּה) Hebrew name ADONIYAH means "my Lord is Jehovah." In the bible, this is the name of the fourth son of David, and a couple of other characters. 

  • GRIFLET

    • Male

    Arthurian

    GRIFLET

    , young squire, knighted by king Arthur.

  • HUMBRYCT

    • Male

    German

    HUMBRYCT

    Variant form of Norman German Huncberct, possibly HUMBRYCT means "bright support."

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RDKIT

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