Chi
Chi: A Python package for treatment response modelling - Published in JOSS (2024)
multiqc
Aggregate results from bioinformatics analyses across many samples into a single report.
sahi
Framework agnostic sliced/tiled inference + interactive ui + error analysis plots
geocat-comp
GeoCAT-comp provides implementations of computational functions for operating on geosciences data. Many of these functions originated in NCL and were translated into Python.
Leafmap
Leafmap: A Python package for interactive mapping and geospatial analysis with minimal coding in a Jupyter environment - Published in JOSS (2021)
pymeasure
Scientific measurement library for instruments, experiments, and live-plotting
easyvvuq
Python 3 framework to facilitate verification, validation and uncertainty quantification (VVUQ) for a wide variety of simulations.
dtaidistance
Time series distances: Dynamic Time Warping (fast DTW implementation in C)
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
geocat-viz
GeoCAT-viz contains tools to help plot geoscience data, including convenience and plotting functions that are used to facilitate plotting geosciences data with Matplotlib, Cartopy, and other visualization packages.
napari-clusters-plotter
A napari plugin for clustering objects according to their properties.
pytransform3d
pytransform3d: 3D Transformations for Python - Published in JOSS (2019)
pykeen
🤖 A Python library for learning and evaluating knowledge graph embeddings
pymsis
Python interface to the NRLMSIS codes for calculating atmospheric densities and constituents at satellite altitudes
connected-components-3d
Connected components on discrete and continuous multilabel 3D & 2D images. Handles 26, 18, and 6 connected variants; periodic boundaries (4, 8, & 6)
lightkurve
A friendly package for Kepler & TESS time series analysis in Python.
bmi-topography
Fetch and cache land elevation data from OpenTopography through an API, BMI, or CLI
qsim
Fast C++ and Python library for state-vector simulation of quantum circuits.
herbie-data
Download numerical weather prediction datasets (HRRR, RAP, GFS, IFS, etc.) from NOMADS, NODD partners (Amazon, Google, Microsoft), ECMWF open data, and the University of Utah Pando Archive System.
skpro
A unified framework for tabular probabilistic regression, time-to-event prediction, and probability distributions in python
qcelemental
Periodic table, physical constants, and molecule parsing for quantum chemistry.
igneous-pipeline
Scalable Neuroglancer compatible Downsampling, Meshing, Skeletonizing, Contrast Normalization, Transfers and more.
kimimaro
Skeletonize densely labeled 3D image segmentations with TEASAR. (Medial Axis Transform)
simpeg
Simulation and Parameter Estimation in Geophysics - A python package for simulation and gradient based parameter estimation in the context of geophysical applications.
feos
FeOs - A Framework for Equations of State and Classical Density Functional Theory
filter-functions
Efficient numerical calculation of generalized filter functions
BrainGlobe Atlas API
BrainGlobe Atlas API: a common interface for neuroanatomical atlases - Published in JOSS (2020)
amici
High-performance sensitivity analysis for large ordinary differential equation models
PySWMM
PySWMM: The Python Interface to Stormwater Management Model (SWMM) - Published in JOSS (2020)
gladia-torchaudio
Data manipulation and transformation for audio signal processing, powered by PyTorch
catalystcoop.pudl
The Public Utility Data Liberation Project provides analysis-ready energy system data to climate advocates, researchers, policymakers, and journalists.
pastas
Pastas is an open-source Python framework for the analysis of groundwater time series.
DEVSIM
DEVSIM: A TCAD Semiconductor Device Simulator - Published in JOSS (2022)
flaml
A fast library for AutoML and tuning. Join our Discord: https://discord.gg/Cppx2vSPVP.
heat
Distributed tensors and Machine Learning framework with GPU and MPI acceleration in Python
scikit-activeml
scikit-activeml: Python library for active learning on top of scikit-learn
pyiron
pyiron - an integrated development environment (IDE) for computational materials science.
pytest
The pytest framework makes it easy to write small tests, yet scales to support complex functional testing
decimer
DECIMER Image Transformer is a deep-learning-based tool designed for automated recognition of chemical structure images. Leveraging transformer architectures, the model converts chemical images into SMILES strings, enabling the digitization of chemical data from scanned documents, literature, and patents.
geocat-examples
GeoCAT-examples provides a gallery of visualization examples demonstrating how to reproduce plots from NCL Applications scripts with packages in Python. It also includes some longer form examples demonstrating how to use functionality from various GeoCAT packages.
pypartmc
Python (and C++) interface to PartMC with Jupyter/Python, Julia and Matlab examples
hatchet
Graph-indexed Pandas DataFrames for analyzing hierarchical performance data
tts
🐸💬 - a deep learning toolkit for Text-to-Speech, battle-tested in research and production
climpred
climpred: Verification of weather and climate forecasts - Published in JOSS (2021)
foyer
A package for atom-typing as well as applying and disseminating forcefields