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47,133 repositories indexed
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NumPy & SciPy for GPU
- cuda
- cudnn
- cublas
- cusolver
AlphaFold 3 inference pipeline.
Efficiently computes derivatives of NumPy code.
- autograd
- automatic-differentiation
- numpy
- python
🔩 Like builtins, but boltons. 250+ constructs, recipes, and snippets which extend (and rely on nothing but) the Python standard library. Nothing like Michael Bolton.
- python
- utilities
- cache
- data-structures
Manipulation and analysis of geometric objects
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
This package contains deep learning models and related scripts for RoseTTAFold
QuTiP: Quantum Toolbox in Python
- qutip
- python
- quantum-toolbox
- quantum
Spearmint Bayesian optimization codebase
Generation of protein sequences and evolutionary alignments via discrete diffusion models
- discrete-diffusion
- generative-model
- multiple-sequence-alignment
- protein-sequences
FiPy is a Finite Volume PDE solver written in Python
- scientific-computing
- scientific-computing-with-python
- phase-field
- materials-science
Spatial Single Cell Analysis in Python
- single-cell-rna-seq
- single-cell-genomics
- spatial-transcriptomics
- spatial-analysis
a molecular descriptor calculator
Tools for computational pathology
- machine-learning
- digital-pathology
- computational-pathology
- biomedical-image-processing
Multiple Pairwise Comparisons (Post Hoc) Tests in Python
- posthoc-comparisons
- posthoc-tests
- python
- scikit
Descriptor computation(chemistry) and (optional) storage for machine learning
OPEM (Open Source PEM Fuel Cell Simulation Tool)
- chemistry
- pem
- fuel-cell
- opem
An automatic code generator for nonlinear model predictive control (NMPC) and the continuation/GMRES method (C/GMRES) based numerical solvers for NMPC
- model-predictive-control
- nonlinear-model-predictive-control
- mpc
- nmpc
Automated 3D brain registration with support for multiple species and atlases.
- registration
- atlases
- brain
- neuroscience
A strongly-typed genetic programming framework for Python
- python
- ipynb
- genetic-programming
- framework
Autonomous multi-agent framework to optimize scientific software
- acceleration
- agentic-ai
- ai-agents
- bioinformatics
A fast MDCT implementation using SciPy and FFTs
- scientific-computing
- signal-processing
- scipy
- audio-analysis
CGRs, molecules and reactions manipulation