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Scientific/Engineering packages

1,023 packages · page 3 of 26 · 3,726 including subcategories

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Packages

jupyter With conditions
PyPI · Scientific/Engineering · released Aug 2024

Jupyter is a metapackage that installs the core Jupyter components—Notebook, JupyterLab, IPython Kernel, and related tools—in a single command for interactive computing and data science workflows.

BSD-3-Clausepure Pythondormant
18.0Mdownloads / mo
ppft With conditions
PyPI · Scientific/Engineering · released Jan 2026

ppft executes Python functions in parallel across multiple processors or networked computers, bypassing the GIL by using separate processes and inter-process communication.

BSD-3-Clausepure Python · 3.9+
17.9Mdownloads / mo
optuna Worth it
PyPI · Scientific/Engineering · released Jun 2026

Optuna is a hyperparameter optimization framework that automates the search for optimal hyperparameter values in machine learning models using a define-by-run API and state-of-the-art sampling algorithms.

MITpure Python · 3.9+
17.4Mdownloads / mo
pooch Worth it
PyPI · Scientific/Engineering · released Jan 2026

Pooch downloads files from HTTP, FTP, and data repositories (Zenodo, figshare), caches them locally, and verifies integrity via hash checking—eliminating manual file management and urllib boilerplate.

Install it if you need to download, cache, and verify data files in any Python project—it eliminates boilerplate and adds reproducibility with minimal overhead.

BSD-3-Clausepure Python · 3.9+
17.0Mdownloads / mo
imbalanced-learn Worth it
PyPI · Scientific/Engineering · released Jun 2026

Provides re-sampling techniques to address class imbalance in machine learning datasets, integrating with scikit-learn for preprocessing imbalanced data before model training.

MITpure Python · 3.10+
16.8Mdownloads / mo
kfp With conditions
PyPI · Scientific/Engineering · released Jul 2026

Kubeflow Pipelines is a Python SDK for defining, deploying, and managing machine learning workflows as containerized task graphs on Kubernetes clusters.

Install only if you already have or plan to set up a Kubeflow infrastructure; it is not a standalone ML framework.

Apache-2.0pure Python · 3.9.0+
16.4Mdownloads / mo
timm Worth it
PyPI · Scientific/Engineering · released Jul 2026

Timm provides a large collection of pretrained PyTorch image models—vision transformers, CNNs, and hybrid architectures—with utilities for loading weights, training, and inference.

Install it if you need pretrained models, model zoo access, or a training framework for vision tasks.

Apache-2.0pure Python · 3.8+
15.4Mdownloads / mo
nvidia-cufile-cu12 With conditions
PyPI · Scientific/Engineering · released Jun 2025

Provides Python bindings for NVIDIA's cuFile GPUDirect storage access libraries, enabling direct GPU-to-storage I/O without CPU involvement for CUDA 12 environments.

license unclearcompiled wheel · 3+aging
14.5Mdownloads / mo
biopython Worth it
PyPI · Scientific/Engineering · released Aug 2026

Biopython provides Python tools for computational molecular biology, including sequence analysis, structure parsing, database access, and phylogenetic tree manipulation.

However, verify that the custom Biopython License Agreement aligns with your project's licensing requirements before committing to it in production or proprietary work.

LicenseRef-Biopython-License-Agreementcompiled wheel · 3.10+
14.4Mdownloads / mo
tritonclient Worth it
PyPI · Scientific/Engineering · released Jul 2026

tritonclient is a Python client library for communicating with Triton Inference Server over gRPC or HTTP, enabling you to send inference requests to remote model-serving deployments.

Install it if you are using Triton for model serving and need to query it from Python.

BSD-3-Clausepure Python
14.4Mdownloads / mo
trimesh Worth it
PyPI · Scientific/Engineering · released Aug 2026

Trimesh loads, manipulates, and analyzes triangular mesh geometry in pure Python, with emphasis on watertight surfaces and a single hard dependency on numpy.

MITpure Python · 3.10+
12.8Mdownloads / mo
rq Worth it
PyPI · Scientific/Engineering · released Jun 2026

RQ is a Python library for queueing jobs and processing them in the background with workers, backed by Redis or Valkey. It handles job scheduling, prioritization, retries, and webhooks with a simple API.

BSD-2-Clausepure Python · 3.10+
12.4Mdownloads / mo
bokeh Worth it
PyPI · Scientific/Engineering · released Jul 2026

Bokeh is an interactive visualization library that creates browser-based plots, dashboards, and data applications from Python code, with support for large and streaming datasets.

Install it if you need browser-based interactivity.

BSD-3-Clausepure Python · 3.10+
12.1Mdownloads / mo
rdkit Worth it
PyPI · Scientific/Engineering · released Aug 2026

RDKit is a chemoinformatics toolkit providing C++ and Python libraries for molecular structure manipulation, analysis, and machine-learning workflows on chemical data.

Install it if you work with molecular structures, chemical data, or computational chemistry.

permissive licensecompiled wheel
11.5Mdownloads / mo
gradio-client Worth it
PyPI · Scientific/Engineering · released Jul 2026

Calls any Gradio app as a Python API with a simple Client interface, handling authentication, file uploads, and response parsing automatically.

Apache-2.0pure Python · 3.10+
11.5Mdownloads / mo
scikit-build-core Worth it
PyPI · Scientific/Engineering · released Jul 2026

A build backend that uses CMake to compile Python extension modules and packages, replacing setuptools-based build systems with a modern, standards-compliant approach.

Apache-2.0pure Python · 3.8+
11.2Mdownloads / mo
soxr Worth it
PyPI · Scientific/Engineering · released May 2026

Performs high-quality sample-rate conversion (resampling) for audio signals, supporting both one-shot and streaming modes via a Python wrapper around libsoxr.

LGPL-2.1-or-latercompiled wheel · 3.9+
11.2Mdownloads / mo
dask-expr Worth it
PyPI · Scientific/Engineering · released Jan 2025

Dask Expressions provides query optimization for Dask DataFrames by encoding operations as an expression tree that is optimized before execution, replacing the earlier Dask DataFrame implementation.

Install it if you are using Dask DataFrames; it is the recommended path forward.

BSD-3-Clausepure Python · 3.10+dormant
11.0Mdownloads / mo
Bottleneck With conditions
PyPI · Scientific/Engineering · released Sep 2025

Bottleneck provides fast NumPy array functions written in C, accelerating operations like nanmean, nansum, moving window calculations, and ranking on arrays with NaN values.

permissive licensecompiled wheel · 3.10+
10.9Mdownloads / mo
cuda-python With conditions
PyPI · Scientific/Engineering · released May 2026

cuda-python is a metapackage providing Pythonic access to NVIDIA's CUDA platform, bundling low-level bindings, runtime abstractions, and utilities for GPU-accelerated computing from Python.

However, verify that the proprietary NVIDIA license aligns with your project's requirements before committing to it in production or redistributed code.

LicenseRef-NVIDIA-SOFTWARE-LICENSEpure Python · 3.10+
10.1Mdownloads / mo
tensorflow-estimator Skip
PyPI · Scientific/Engineering · released Nov 2023

TensorFlow Estimator provides a high-level API for building and training machine learning models, encapsulating training, evaluation, prediction, and model export workflows.

Apache-2.0pure Python · 3.7+abandoned
10.1Mdownloads / mo
opencv-contrib-python Worth it
PyPI · Scientific/Engineering · released Jul 2026

opencv-contrib-python provides Python bindings to OpenCV's full library, including contrib modules for advanced computer vision tasks like feature detection, image processing, and machine learning on images.

Apache-2.0compiled wheel · 3.6+
9.3Mdownloads / mo
pandera Worth it
PyPI · Scientific/Engineering · released Jun 2026

Pandera provides a flexible API for validating dataframe-like objects using declarative schemas with type checking and custom validation rules.

MITpure Python · 3.10+
9.2Mdownloads / mo
cytoolz With conditions
PyPI · Scientific/Engineering · released Oct 2025

Cython-accelerated implementation of the toolz functional utilities library, providing faster performance for operations on iterables, functions, and dictionaries while maintaining the same API.

BSD-3-Clausecompiled wheel · 3.9+aging
9.1Mdownloads / mo
ultralytics With conditions
PyPI · Scientific/Engineering · released Aug 2026

Ultralytics YOLO provides a unified framework for training and deploying computer vision models for object detection, instance segmentation, pose estimation, image classification, and semantic segmentation tasks.

Install it if you need a production-ready YOLO implementation and can accept the AGPL-3.0 license (or obtain a commercial license).

AGPL-3.0-or-laterpure Python · 3.8+
9.0Mdownloads / mo
gluonts Worth it
PyPI · Scientific/Engineering · released Jul 2026

GluonTS provides deep learning models for probabilistic time series forecasting, built on PyTorch, enabling you to train and deploy models that generate probability distributions over future values rather than point estimates.

Install it if your use case requires neural time series models; skip it if you need only classical statistical forecasting or simple point predictions.

Apache-2.0pure Python
8.5Mdownloads / mo
distributed Worth it
PyPI · Scientific/Engineering · released Jul 2026

Distributed provides a scheduler and runtime for parallel and distributed computation using Dask, enabling you to scale Python workloads across multiple machines or cores.

BSD-3-Clausepure Python · 3.10+
8.4Mdownloads / mo
lancedb With conditions
PyPI · Scientific/Engineering · released Aug 2026

LanceDB is a Python SDK for connecting to and querying LanceDB vector databases, supporting search operations on embedded data with filtering and result limits.

Apache-2.0compiled wheel · 3.10+
8.2Mdownloads / mo
nvidia-nvshmem-cu12 With conditions
PyPI · Scientific/Engineering · released Jul 2026

NVSHMEM provides a global address space for GPU cluster communication, enabling fine-grained GPU and CPU-initiated operations across multiple GPU memories using OpenSHMEM-based primitives.

However, verify the unclear license terms and confirm Windows support is not actually available despite classifier claims.

license unclearcompiled wheel · 3+
7.6Mdownloads / mo
umap-learn Worth it
PyPI · Scientific/Engineering · released Apr 2026

UMAP reduces high-dimensional data to lower dimensions for visualization and general non-linear dimensionality reduction, using a manifold-learning approach that preserves both local and global structure.

Install it if you need dimension reduction with better global structure preservation, or as a general-purpose manifold learning tool for exploratory analysis and…

permissive licensepure Python · 3.9+
7.5Mdownloads / mo
firecrawl-py Worth it
PyPI · Scientific/Engineering · released Aug 2026

Client library for the Firecrawl API that scrapes, crawls, and searches the web, returning clean Markdown or structured data; also indexes research papers from PubMed, bioRxiv, medRxiv, and arXiv.

MITpure Python · 3.8+
7.3Mdownloads / mo
exchange_calendars Worth it
PyPI · Scientific/Engineering · released Mar 2026

Provides trading calendars for more than 50 security exchanges worldwide, allowing you to query trading sessions, minutes, and schedules with timezone-aware timestamps and holiday handling.

Install it if you work with multiple exchanges or need reliable session/minute-level time alignment.

Apache-2.0pure Python
7.2Mdownloads / mo
pynndescent Worth it
PyPI · Scientific/Engineering · released Jan 2026

PyNNDescent builds approximate nearest neighbor search indexes using nearest neighbor descent algorithms, supporting a wide variety of distance metrics for fast k-neighbor queries on high-dimensional data.

BSD-2-Clausepure Python
7.0Mdownloads / mo
ortools Worth it
PyPI · Scientific/Engineering · released Jan 2026

OR-Tools provides constraint programming, linear and mixed-integer programming, vehicle routing, and graph algorithm solvers developed at Google for operations research problems.

Apache-2.0compiled wheel · 3.9+
6.6Mdownloads / mo
ndg-httpsclient With conditions
PyPI · Scientific/Engineering · released Jul 2018

Provides enhanced HTTPS support for Python's httplib and urllib2 (or http.client and urllib in Python 3) by wrapping PyOpenSSL to enable full SSL peer verification using certificate validation.

BSD-3-Clausepure Python
6.5Mdownloads / mo
tensorflow-io-gcs-filesystem With conditions
PyPI · Scientific/Engineering · released Jul 2024

Provides Google Cloud Storage filesystem support for TensorFlow, enabling direct reading and writing of data from GCS buckets within TensorFlow pipelines without local downloads.

Install only if your TensorFlow version matches the compatibility table (0.37.1 requires TensorFlow 2.16.x).

Apache-2.0compiled wheel
6.5Mdownloads / mo
ultralytics-thop Worth it
PyPI · Scientific/Engineering · released Jul 2026

Profiles PyTorch models by counting Multiply-Accumulate Operations (MACs) and parameters in a single forward pass, with built-in rules for common layer types and support for custom counting rules.

Install it if you need to profile PyTorch model efficiency.

AGPL-3.0-or-laterpure Python · 3.8+
6.5Mdownloads / mo
python-crfsuite With conditions
PyPI · Scientific/Engineering · released Dec 2025

Python binding to CRFsuite for conditional random field sequence labeling and structured prediction.

MITcompiled wheel · 3.10+aging
6.3Mdownloads / mo
nvidia-cutlass-dsl-libs-base With conditions
PyPI · Scientific/Engineering · released Aug 2026

Provides Python interfaces for writing high-performance CUDA kernels using CUTLASS DSL concepts without C++ expertise, targeting NVIDIA Tensor Cores on Ampere, Hopper, and Blackwell architectures.

However, verify the unclear license terms before production use, and be aware the package is in public beta—expect potential API changes before summer 2026 graduation.

license unclearcompiled wheel · 3.10+
6.3Mdownloads / mo
Pint Worth it
PyPI · Scientific/Engineering · released Mar 2026

Pint defines, operates on, and converts between physical quantities—combining numerical values with units of measurement—and supports arithmetic operations and unit conversions across a comprehensive built-in unit library.

Install it if you work with physical quantities, scientific data, or any calculation where mixing units is a concern.

BSD-3-Clausepure Python · 3.11+
6.1Mdownloads / mo