Add built-in support for quaternions to numpy
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A Swift micro library for generating Sunrise and Sunset times on device, requiring no network access.
- swift
- sunrise
- sunset
- ios
Spatial Single Cell Analysis in Python
- single-cell-rna-seq
- single-cell-genomics
- spatial-transcriptomics
- spatial-analysis
A Euclidean diffusion model for structure-based drug design.
- ddpm
- drug-design
- equivariance
- generative-model
a numpy-like fast vector module for micropython, circuitpython, and their derivatives
- micropython-ulab
- numpy
- micropython
- module
A High-Level Abstraction Framework for Quantum Algorithms
Exascale multiphase flow solver — 2025 Gordon Bell Prize Finalist | 200T grid points on 43K+ GPUs
- gpu
- exascale
- cfd
- fortran
The official implementation of 3D Equivariant Diffusion for Target-Aware Molecule Generation and Affinity Prediction (ICLR 2023)
- ai-for-science
- diffusion-models
- drug-design
- equivariant-networks
One open-source modeler for structures, heat and fluids, built from scratch in pure Rust: parametric part in, verified results out. Automatic all-hex and tet meshing, our own nonlinear implicit and explicit FEA, heat transfer and lattice Boltzmann CFD — every result checked against theory. For engineers and AI agents alike. Free, forever.
- cae
- cfd
- computational-mechanics
- explicit-dynamics
City Energy Analyst (CEA) is an open-source urban building energy modeling (UBEM) platform and computation tool for the design of low-carbon and highly efficient cities.
- python
- urban-design
- urban-analytics
- ubem
Matrix Algebra proGrams In Common Lisp.
- common-lisp
- matrix-algebra
- linear-algebra
Bi-Directional Equivariant Long-Range DNA Sequence Modeling
Wide-Integer implements a generic C++ template for uint128_t, uint256_t, uint512_t, uint1024_t, etc.
- high-performance
- embedded-systems
- multiprecision
- numerical
a unified framework for modeling chemically reactive systems
- chemical-equilibrium
- chemical-kinetics
- reactive-transport
- chemical-reactions
A formalization of geometry in Coq based on Tarski's axiom system
A gallery of animations in statistics and utilities to create animations
- r
- r-package
- animation
- statistics
Medical LLM agent and MRI segmentation workspace built on PharmaLLM, with LangGraph, vLLM, and BEU-Net.
A command-line utility for quick math.
Simple RDKit molecule editor GUI using PySide
ChemML is a machine learning and informatics program suite for the chemical and materials sciences.
- quantum-mechanics
- materials-informatics
- data-science
- machine-learning
Trick Simulation Environment. Trick provides a common set of simulation capabilities and utilities to build simulations automatically.
OFF, Open source Finite volume Fluid dynamics code
- fluid-dynamics
- fortran
- oop
- cfd
Learning cell communication from spatial graphs of cells
- tensorflow
- gnn
- glm
- cvae
A matrix package for common lisp building on work by Mark Hoemmen, Evan Monroig, Tamas Papp and Rif.