A fully featured, pythonic library for representing and using quaternions
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A C/C++ header file for fast 32-bit division remainders (and divisibility tests) on 64-bit hardware.
- performance
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
UCE is a zero-shot foundation model for single-cell gene expression data
pyMOR - Model Order Reduction with Python
- python
- model-reduction
- model-order-reduction
- control-systems
Collection of self-contained header-only libraries for C++17
Image restoration for fluorescence microscopy
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
The universe in numbers. Free, open-source calculators for everything countable.
Genetic Algorithm for solving optimization of trading strategies using Gekko
Source code for "DeepDTA: deep drug-target binding affinity prediction"
- protein-ligand-interactions
- convolutional-neural-networks
Ark -- Archetype-based Entity Component System (ECS) for Go.
- ecs
- entity-component-system
- go
- golang
A generic interface for the environmental perception of automated driving functions in virtual scenarios.
- asam
- osi
- open-simulation-interface
- simulation
OpenAeroStruct is a lightweight tool that performs aerostructural optimization using OpenMDAO.
- openmdao
- optimization
- aerodynamics
- open-source
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data
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
Descriptor computation(chemistry) and (optional) storage for machine learning
Solve automatic numerical differentiation problems in one or more variables.
Voronoi / Delaunay tessellations on the sphere
- voronoi
- d3js
- d3
- geospatial
Bayesian Optimization using GPflow
- gpflow
- bayesian-optimization
- machine-learning
- hyperparameter-optimization
Kaapana is an open source toolkit for state of the art platform provisioning in the field of medical data analysis. The applications comprise AI-based workflows and federated learning scenarios with a focus on radiological and radiotherapeutic imaging. The name Kaapana comes from the Hawaiian word kaʻāpana, meaning "distributor" or "part".
- imaging
- ai
- cloud-computing
- medical-imaging
CEED Library: Code for Efficient Extensible Discretizations
- ceed
- high-order
- exascale-computing
- api
formally verified category theory library
- category-theory
- formal-verification
- formal-proofs
Open source math and physics engine that executes MATLAB-syntax code. Features a modern compiler, automatic GPU acceleration for large calculations, and support for math on geometry / FEA calculations.
- matlab
- rust
- jit-compiler
- linear-algebra