The fundamental package for scientific computing with Python.
- numpy
- python
Repository Index
47,133 repositories indexed
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A computer algebra system written in pure Python
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
- drug-discovery
- quantum-chemistry
- deep-learning
- biology
Eclipse SUMO is an open source, highly portable, microscopic and continuous traffic simulation package designed to handle large networks. It allows for intermodal simulation including pedestrians and comes with a large set of tools for scenario creation.
- traffic
- simulation
- transport
3D visualization and mesh analysis for science and engineering
- vtk
- python
- visualization
- 3d
This package contains deep learning models and related scripts for RoseTTAFold
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
[CONTRIBUTORS WELCOME] Generalized Additive Models in Python
Pythonic tool for orchestrating machine-learning/high performance/quantum-computing workflows in heterogeneous compute environments.
- hpc
- workflow
- workflow-automation
- workflow-management
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
A Python package to visualise neuroanatomical data in atlas space
- neuroscience
- python
- anatomy
- visualization
⚗ A package useful for chemistry written in Python
- chemistry
- physical-chemistry
- chemical-kinetics
- chemical-formulas
Automated Attack Simulation in the Cloud, complete with detection use cases.
Engine for AI/ML/Data tracking, visualization, explainability, drift detection, and dashboards for Polyaxon.
- pandas
- pandas-summary
- dataframes
- data-science
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
- cookiecutter
- python-packages
- molecular-sciences
- conda-environment
A Python package for molecular docking with an extensive, highly-curated dataset and a set of realistic benchmark tasks for drug discovery.
A tool for cell instance aware segmentation in densely packed 3D volumetric images
- segmentation
- deep-learning
- bioinformatics
- neural-network
Nellie: Automated organelle segmentation, tracking, and hierarchical feature extraction in 2D/3D live-cell microscopy
- biology
- fluorescence
- image-analysis
- image-processing
Nova DSO Tracker is an open-source Flask application for astrophotographers, providing real-time tracking of deep-sky objects' altitude, observability prediction, and integration with Stellarium and SIMBAD databases.
Simple, modern ETH backtesting project using Pandas/Numpy: data prep, MA signals, portfolio simulation, and result visualization.
- algorithmic-trading
- cryptocurrency
- ethereum
- moving-average