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Scientific/Engineering packages

1,023 packages · page 24 of 26 · 3,726 including subcategories

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sentinelhub Worth it
PyPI · Scientific/Engineering · released Mar 2026

sentinelhub provides a Python interface to Sentinel Hub's satellite data APIs and geospatial utilities, enabling access to Sentinel, Landsat, MODIS, and other satellite imagery collections through Process, Catalog, Batch, and Statistical APIs.

Install it if you need programmatic access to Sentinel Hub's imagery APIs; skip it if you don't use Sentinel Hub or prefer direct REST calls.

MITpure Python · 3.8+
92.4Kdownloads / mo
qtmonaco With conditions
PyPI · Scientific/Engineering · released Jul 2026

Embeds the Monaco Editor (VS Code's editor) into Qt applications with syntax highlighting, code completion, and Language Server Protocol support.

license unclearpure Python · 3.10+
92.4Kdownloads / mo
bluesky With conditions
PyPI · Scientific/Engineering · released May 2026

Bluesky is an experiment control and scientific data collection library that orchestrates experimental procedures, captures rich metadata, and streams live data for inline processing and visualization.

Apache-2.0pure Python · 3.10+
92.3Kdownloads / mo
pvanalytics Worth it
PyPI · Scientific/Engineering · released Nov 2024

PVAnalytics provides quality control, filtering, feature labeling, and analysis functions for photovoltaic system-level data, organized into modules for data quality checks, feature identification, system characterization, and metrics computation.

Install it if you work with photovoltaic system data and need quality control, feature labeling, or system characterization functions; the modular design lets you use…

permissive licensepure Python
92.3Kdownloads / mo
padelpy With conditions
PyPI · Scientific/Engineering · released Jul 2026

PaDELPy wraps the PaDEL-Descriptor Java engine to compute molecular descriptors and fingerprints from chemical structures in SMILES, MDL MolFile, and SDF formats.

Install it if you're already committed to PaDEL's descriptor types; if you're exploring alternatives, consider RDKit or Mordred first, as they have different…

MITpure Python · 3.10+
92.2Kdownloads / mo
grizz With conditions
PyPI · Scientific/Engineering · released Nov 2024

grizz provides composable ingestors and transformers to load and reshape data in polars DataFrames using an object-oriented building-block approach.

However, be aware that the API is unstable in beta—pin your version and review release notes before upgrading, as breaking changes are expected.

BSD-3-Clausepure Python
92.2Kdownloads / mo
qm-octave With conditions
PyPI · Scientific/Engineering · released Jul 2025

SDK for controlling Quantum Machine's Octave hardware using QUA, communicating via gRPC with protobuf serialization.

BSD-3-Clausepure Pythonaging
92.1Kdownloads / mo
sinter With conditions
PyPI · Scientific/Engineering · released May 2026

Sinter performs fast Monte Carlo sampling of quantum error correction circuits, using stim to generate samples and decoders like pymatching to predict logical errors from detector data.

permissive licensebuilds from source · 3.7.0+
92.1Kdownloads / mo
Geode-Explicit With conditions
PyPI · Scientific/Engineering · released Jul 2026

Geode-Explicit is an OpenGeode module for constructing and working with explicit geometric models, built on top of the Geode geometry framework.

However, verify the Proprietary license terms with Geode-solutions first, and confirm that the module's API and capabilities match your use case—public documentation…

license unclearcompiled wheel
92.1Kdownloads / mo
accelforge With conditions
PyPI · Scientific/Engineering · released Jul 2026

AccelForge models, designs, and explores tensor algebra accelerators by integrating hardware component cost modeling with workload mapping and optimization.

However, verify the license terms first, and be prepared for a substantial dependency footprint.

license unclearpure Python · 3.8+
92.0Kdownloads / mo
jina With conditions
PyPI · Scientific/Engineering · released Mar 2025

Jina is a framework for building and deploying AI services that communicate via gRPC, HTTP, and WebSockets, with built-in support for scaling, containerization, and cloud deployment.

Not recommended if you prefer minimal dependencies or need cutting-edge feature velocity.

Apache-2.0compiled wheelaging
91.7Kdownloads / mo
omnimalloc With conditions
PyPI · Scientific/Engineering · released Aug 2026

OmniMalloc solves static memory allocation for neural networks by assigning buffer offsets to minimize peak memory usage, with an efficient C++ backend and multiple allocation algorithms including SuperMalloc.

Apache-2.0compiled wheel · 3.10+
91.3Kdownloads / mo
torchio Worth it
PyPI · Scientific/Engineering · released Jun 2026

TorchIO reads, preprocesses, augments, and samples 3D medical images for deep learning with PyTorch, offering both standard computer vision transforms and domain-specific medical imaging operations like MRI artifact simulation.

Install it if you're building medical imaging models with PyTorch.

Apache-2.0pure Python · 3.10+
91.1Kdownloads / mo
miceforest With conditions
PyPI · Scientific/Engineering · released Oct 2025

Performs Multiple Imputation by Chained Equations (MICE) using LightGBM to fill missing values in pandas DataFrames and numpy arrays with statistical rigor and speed.

MITpure Pythonaging
90.8Kdownloads / mo
audiofile Worth it
PyPI · Scientific/Engineering · released May 2026

Reads and writes audio files across formats supported by ffmpeg, sox, and mediainfo, with optimized reading speed and metadata extraction for channels, duration, samples, and sampling rate.

Install it if you work with audio files in multiple formats and want to avoid format-specific code.

MITpure Python · 3.10+
90.6Kdownloads / mo
gamma-pytools With conditions
PyPI · Scientific/Engineering · released Jul 2024

A collection of machine learning and visualization utilities including API development tools, data simulation, expression building, model fitting helpers, parallelization via joblib, and a lightweight MVC framework for rendering visualizations in multiple formats.

Apache-2.0pure Python
90.4Kdownloads / mo
pygad Worth it
PyPI · Scientific/Engineering · released Jun 2026

PyGAD is a Python library for building and running genetic algorithms to optimize single-objective and multi-objective problems, with built-in support for training Keras and PyTorch models.

Install it if you need genetic algorithm optimization; skip it if you only do gradient-based machine learning.

license unclearpure Python · 3+
90.1Kdownloads / mo
swiglpk With conditions
PyPI · Scientific/Engineering · released Feb 2026

swiglpk provides direct Python bindings to the GNU Linear Programming Kit (GLPK) C library, enabling you to formulate and solve linear and mixed-integer optimization problems from Python code.

However, if you want a Pythonic API for formulating optimization problems, use optlang or another high-level wrapper instead; swiglpk is intentionally low-level and…

GPL-3.0-onlycompiled wheel
89.9Kdownloads / mo
ggplot Skip
PyPI · Scientific/Engineering · released Sep 2016

ggplot is a Python implementation of the grammar of graphics that lets you build layered statistical graphics by combining data, aesthetic mappings, and geometric layers.

permissive licensepure Pythonabandoned
89.9Kdownloads / mo
event-model Worth it
PyPI · Scientific/Engineering · released Jun 2026

Defines and validates the formal data model for bluesky's streaming scientific data ecosystem, providing schemas and Python tools for composing, validating, and transforming experiment documents.

BSD-3-Clausepure Python · 3.10+
89.9Kdownloads / mo
pyorbital Worth it
PyPI · Scientific/Engineering · released Mar 2026

Pyorbital computes orbital parameters from TLE (Two-Line Element) files and performs astronomical calculations for satellite scheduling and pass prediction.

Install it if you need TLE parsing, satellite pass prediction, or orbital position calculations; skip it if your work does not involve satellite scheduling or tracking.

Apache-2.0pure Python · 3.10+
89.8Kdownloads / mo
somacore With conditions
PyPI · Scientific/Engineering · released Apr 2026

Provides the Python reference implementation of the SOMA specification—a set of base interfaces, types, and utilities for working with standardized single-cell data storage and retrieval across different backend implementations.

MITpure Python · 3.9+
89.7Kdownloads / mo
tensorflow-data-validation With conditions
PyPI · Scientific/Engineering · released Jun 2026

TensorFlow Data Validation (TFDV) computes summary statistics, detects anomalies, and generates data schemas for machine learning datasets at scale using Apache Beam and TensorFlow.

Apache-2.0compiled wheel
89.7Kdownloads / mo
audmath With conditions
PyPI · Scientific/Engineering · released Oct 2025

audmath provides mathematical functions implemented in pure Python with numpy as its only external dependency.

MITpure Python · 3.10+
89.4Kdownloads / mo
pyvista-zstd With conditions
PyPI · Scientific/Engineering · released Aug 2026

Compress and decompress VTK datasets using Zstandard compression with multi-threaded read and write operations, integrated with PyVista.

MITpure Python · 3.10+
88.9Kdownloads / mo
torch-directml With conditions
PyPI · Scientific/Engineering · released Sep 2024

Enables PyTorch to use DirectML for GPU acceleration on DirectX 12-compatible hardware from AMD, Intel, NVIDIA, and Qualcomm.

However, operator coverage is still developing—verify that your specific PyTorch operations are supported via the operator roadmap before committing to production use.

MITcompiled wheel · 3.7+
88.7Kdownloads / mo
pyranges Worth it
PyPI · Scientific/Engineering · released Mar 2025

PyRanges provides efficient querying and manipulation of genomic intervals (genes, features, reads) using a pandas-backed interface optimized for genomics workflows.

Install it if you work with genomic intervals or annotations in Python.

MITpure Python
88.2Kdownloads / mo
bbhash With conditions
PyPI · Scientific/Engineering · released Oct 2025

Builds minimal perfect hash functions for 64-bit hashes using BBHash, with optional value-table storage for hash-to-value lookups.

license unclearbuilds from source · 3.11+aging
87.7Kdownloads / mo
zhinst-timing-models With conditions
PyPI · Scientific/Engineering · released Jul 2026

Provides feedback latency model parameters for Zurich Instruments quantum control systems (PQSC, SHF, HDAWG), enabling calculation of timing delays in quantum feedback loops.

MITpure Python · 3.8+
87.6Kdownloads / mo
ansys-api-fluent With conditions
PyPI · Scientific/Engineering · released Aug 2026

Provides auto-generated gRPC Python interface files for communicating with Ansys Fluent, enabling programmatic access to Fluent's computational fluid dynamics capabilities.

permissive licensepure Python · 3.10+
87.4Kdownloads / mo
TotalSegmentator With conditions
PyPI · Scientific/Engineering · released Aug 2026

Automated segmentation of anatomical structures in CT and MR medical images, identifying and labeling 117 classes in CT or 50 classes in MR scans using deep learning.

permissive licensepure Python · 3.9+
87.3Kdownloads / mo
pydantic-zarr Worth it
PyPI · Scientific/Engineering · released Apr 2026

Provides Pydantic models for reading, validating, and working with Zarr array groups and their metadata in a type-safe way.

Install it if you work with Zarr arrays and want type-safe, validated access to their metadata and structure; skip it if you do not use Zarr or do not need schema…

MITpure Python · 3.12+
87.1Kdownloads / mo
mhfp With conditions
PyPI · Scientific/Engineering · released Feb 2023

Encodes molecular structures as MinHash fingerprints (MHFP6) for fast similarity search and nearest-neighbor queries using locality-sensitive hashing.

Not recommended for new projects requiring ongoing support or frequent updates.

license unclearpure Pythonabandoned
86.7Kdownloads / mo
pycuda With conditions
PyPI · Scientific/Engineering · released Jan 2026

PyCUDA provides Pythonic bindings to Nvidia's CUDA API, letting you write GPU-accelerated code in Python with automatic memory management, error handling, and access to CUDA's full driver API.

MITbuilds from source
86.5Kdownloads / mo
pysplashsurf With conditions
PyPI · Scientific/Engineering · released Mar 2026

pySplashsurf provides Python bindings for surface reconstruction from particle data in SPH (smoothed particle hydrodynamics) simulations, available as both a library and command-line tool.

MITcompiled wheel · 3.10+
86.4Kdownloads / mo
FireWorks With conditions
PyPI · Scientific/Engineering · released Aug 2026

FireWorks stores, executes, and manages calculation workflows, providing a system to define, track, and run computational tasks at scale.

permissive licensepure Python · 3.10+
86.4Kdownloads / mo
cloudml-hypertune Skip
PyPI · Scientific/Engineering · released Dec 2019

Reports hyperparameter tuning metrics to Google CloudML Engine's hyperparameter tuning service, writing metric data to a local file for the service to consume.

Apache-2.0builds from sourceabandoned
86.2Kdownloads / mo
sklearndf With conditions
PyPI · Scientific/Engineering · released Sep 2025

Wraps scikit-learn estimators to return pandas DataFrames instead of numpy arrays, preserving feature names through transformations and enabling feature traceability across pipelines.

Apache-2.0pure Pythonaging
85.6Kdownloads / mo
py2neo Skip
PyPI · Scientific/Engineering · released Oct 2023

Py2neo is a Python client library for Neo4j that provides Bolt and HTTP connectivity, a high-level API, an OGM, and Cypher tooling—though the project is now end-of-life with no further updates planned.

No—not for new projects.

Apache-2.0pure Pythondormant
85.6Kdownloads / mo
searoute With conditions
PyPI · Scientific/Engineering · released May 2026

Computes the shortest sea route between two geographic points, returning a GeoJSON LineString with distance and optional port information for maritime visualization.

Apache-2.0builds from source
85.5Kdownloads / mo