Suchergebnisse - "python library"
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COMBO: An efficient Bayesian optimization library for materials science
ISSN: 2352-9245, 2352-9245Veröffentlicht: Elsevier Ltd 01.06.2016Veröffentlicht in Materials discovery (01.06.2016)“… [Display omitted] In many subfields of chemistry and physics, numerous attempts have been made to accelerate scientific discovery using data-driven …”
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GP+: A Python library for kernel-based learning via Gaussian processes
ISSN: 0965-9978Veröffentlicht: Elsevier Ltd 01.09.2024Veröffentlicht in Advances in engineering software (1992) (01.09.2024)“… In this paper we introduce GP+, an open-source library for kernel-based learning via Gaussian processes (GPs) which are powerful statistical models that are …”
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Pixyz: a Python library for developing deep generative models
ISSN: 0169-1864, 1568-5535Veröffentlicht: Taylor & Francis 02.10.2023Veröffentlicht in Advanced robotics (02.10.2023)“… With the recent rapid progress in the study of deep generative models (DGMs), there is a need for a framework that can implement them in a simple and generic …”
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MAPAL: A python library for mapping features and properties of alloys over compositional spaces
ISSN: 0927-0256Veröffentlicht: Elsevier B.V 30.01.2026Veröffentlicht in Computational materials science (30.01.2026)“… Compositional machine learning (ML) models have emerged as a promising high throughput approach to probe the properties and behavior of a wide variety of …”
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ChemTS: an efficient python library for de novo molecular generation
ISSN: 1468-6996, 1878-5514Veröffentlicht: United States Taylor & Francis 31.12.2017Veröffentlicht in Science and technology of advanced materials (31.12.2017)“… Automatic design of organic materials requires black-box optimization in a vast chemical space. In conventional molecular design algorithms, a molecule is …”
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EEGraph: An open-source Python library for modeling electroencephalograms using graphs
ISSN: 0925-2312, 1872-8286Veröffentlicht: Elsevier B.V 28.01.2023Veröffentlicht in Neurocomputing (Amsterdam) (28.01.2023)“… •Open-source Python library for graph-based EEG modeling using connectivity measures.•Includes several connectivity measures, related to time and frequency …”
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IntelELM: A python framework for intelligent metaheuristic-based extreme learning machine
ISSN: 0925-2312Veröffentlicht: Elsevier B.V 14.02.2025Veröffentlicht in Neurocomputing (Amsterdam) (14.02.2025)“… This study introduces IntelELM, an open-source Python library designed for hybrid neural networks that integrate Extreme Learning Machine (ELM) with …”
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fromage: A library for the study of molecular crystal excited states at the aggregate scale
ISSN: 0192-8651, 1096-987X, 1096-987XVeröffentlicht: Hoboken, USA John Wiley & Sons, Inc 15.04.2020Veröffentlicht in Journal of computational chemistry (15.04.2020)“… The study of photoexcitations in molecular aggregates faces the twofold problem of the increased computational cost associated with excited states and the …”
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QIDLearningLib: A Python library for quasi-identifier recognition and evaluation
ISSN: 0925-2312Veröffentlicht: Elsevier B.V 14.11.2025Veröffentlicht in Neurocomputing (Amsterdam) (14.11.2025)“… Quasi-identifiers (QIDs) are attributes in a dataset that are not directly unique identifiers of the users/entities themselves but can be used, often in …”
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Characterizing and detecting Python version incompatibilities caused by inconsistent version specifications
ISSN: 0164-1212Veröffentlicht: Elsevier Inc 01.04.2025Veröffentlicht in The Journal of systems and software (01.04.2025)“… Python interpreter serves as the foundation for developing Python projects. Configuring compatible Python version is essential for packaging and reusing …”
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IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files
ISSN: 0192-8651, 1096-987X, 1096-987XVeröffentlicht: Hoboken, USA John Wiley & Sons, Inc 05.03.2021Veröffentlicht in Journal of computational chemistry (05.03.2021)“… IOData is a free and open‐source Python library for parsing, storing, and converting various file formats commonly used by quantum chemistry, molecular …”
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ABCpy : A High-Performance Computing Perspective to Approximate Bayesian Computation
ISSN: 1548-7660, 1548-7660Veröffentlicht: Foundation for Open Access Statistics 01.11.2021Veröffentlicht in Journal of statistical software (01.11.2021)“… ABCpy is a highly modular scientific library for approximate Bayesian computation (ABC) written in Python. The main contribution of this paper is to document a …”
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PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions
ISSN: 1758-2946, 1758-2946Veröffentlicht: Cham Springer International Publishing 20.03.2018Veröffentlicht in Journal of cheminformatics (20.03.2018)“… Background With the increasing development of biotechnology and informatics technology, publicly available data in chemistry and biology are undergoing …”
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MetaIBM: A Python-based library for individual-based modelling of eco-evolutionary dynamics in spatial-explicit metacommunities
ISSN: 0304-3800Veröffentlicht: Elsevier B.V 01.06.2024Veröffentlicht in Ecological modelling (01.06.2024)“… •We released a python library (MetaIBM) for individual-based modelling on GitHub.•The MetaIBM is suitable for a wide range of scenarios in metacommunity …”
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MetaPerceptron: A standardized framework for metaheuristic-driven multi-layer perceptron optimization
ISSN: 0920-5489Veröffentlicht: Elsevier B.V 01.04.2025Veröffentlicht in Computer standards and interfaces (01.04.2025)“… •MetaPerceptron: an user-friendly and comprehensive metaheuristic-based MLP framework.•Supports regression and classification tasks with more than 200 …”
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bmdrc: Python package for quantifying phenotypes from chemical exposures with benchmark dose modeling
ISSN: 1553-7358, 1553-734X, 1553-7358Veröffentlicht: United States Public Library of Science (PLoS) 28.07.2025Veröffentlicht in PLoS computational biology (28.07.2025)“… Though chemical exposures are known to potentially have negative impacts on health, including contributing to chronic diseases such as cancer, the quantitative …”
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Unified Planning: Modeling, manipulating and solving AI planning problems in Python
ISSN: 2352-7110, 2352-7110Veröffentlicht: Elsevier B.V 01.02.2025Veröffentlicht in SoftwareX (01.02.2025)“… Automated planning is a branch of artificial intelligence aiming at finding a course of action that achieves specified goals, given a description of the …”
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TAT-HUM: Trajectory analysis toolkit for human movements in Python
ISSN: 1554-3528, 1554-3528Veröffentlicht: New York Springer US 01.06.2024Veröffentlicht in Behavior research methods (01.06.2024)“… Human movement trajectories can reveal useful insights regarding the underlying mechanisms of human behaviors. Extracting information from movement …”
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PyBanshee version (1.0): A Python implementation of the MATLAB toolbox BANSHEE for Non-Parametric Bayesian Networks with updated features
ISSN: 2352-7110, 2352-7110Veröffentlicht: Elsevier B.V 01.02.2023Veröffentlicht in SoftwareX (01.02.2023)“… In this paper we discuss PyBanshee, which is a Python-based open-source implementation of the MATLAB toolbox BANSHEE. PyBanshee constitutes the first fully …”
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Numerical Simulations on Nonlinear Quantum Graphs with the GraFiDi Library
ISSN: 2426-8399, 2426-8399Veröffentlicht: Société de Mathématiques Appliquées et Industrielles (SMAI) 08.04.2022Veröffentlicht in SMAI Journal of Computational Mathematics (08.04.2022)“… Nonlinear quantum graphs are metric graphs equipped with a nonlinear Schrödinger equation. Whereas in the last ten years they have known considerable …”
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