Optax is a gradient processing and optimization library for JAX.
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CasADi is a symbolic framework for numeric optimization implementing automatic differentiation in forward and reverse modes on sparse matrix-valued computational graphs. It supports self-contained C-code generation and interfaces state-of-the-art codes such as SUNDIALS, IPOPT etc. It can be used from C++, Python, Matlab/Octave, Julia or Javascript
- optimization
- nonlinear
- derivatives
- code-generation
Spectral simulation of analog photography processes
Linear algebra, eigenvalues, FFT, Bessel, elliptic, orthogonal polys, geometry, NURBS, numerical quadrature, 3D transfinite interpolation, random numbers, Mersenne twister, probability distributions, optimisation, differential equations.
- scientific-computing
- linear-algebra
- differential-equations
- sparse-systems
A .NET GIS solution that is fast and reliable for the .NET platform.
- topology
- nts
- sfs
- c-sharp
Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
- diffusion-models
- docking
- binding
- computational-biology
Biological foundation modeling from molecular to genome scale
A Python library for quantum programming using Quil.
- forest
- quil
- quantum-computing
- quantum-programming
Owl - OCaml Scientific Computing @ https://ocaml.xyz
- matrix
- linear-algebra
- ndarray
- statistical-functions
ProtTrans is providing state of the art pretrained language models for proteins. ProtTrans was trained on thousands of GPUs from Summit and hundreds of Google TPUs using Transformers Models.
Brian is a free, open source simulator for spiking neural networks.
- python
- neuroscience
- science
- differential-equations
TorchXRayVision: A library of chest X-ray datasets and models. Classifiers, segmentation, and autoencoders.
- medical-imaging
- medical-ai
- deep-learning
- machine-learning
An open-source application for biological image analysis
A lean C++ library for working with point cloud data
- point-cloud
- icp
- ransac
- convex-hull
a lean linear math library, aimed at graphics programming. Supports vec3, vec4, mat4x4 and quaternions
WebGL accelerated JavaScript molecular graphics library
- molecular-graphics
- molecular-modeling
- computational-biology
- computational-chemistry
Foundation Models for Genomics & Transcriptomics
:christmas_tree:Visualization and annotation of phylogenetic trees
- r
- visualization
- phylogenetic-trees
- annotations
Polygonal Surface Reconstruction from Point Clouds (C++ & Python)
- surface-reconstruction
- urban-modeling
- urban-reconstruction
- primitive-extraction
3D medical imaging reconstruction software
- dicom
- dicom-viewer
- magnetic-resonance-imaging
- medical-image-processing
Python package for graph neural networks in chemistry and biology
- deep-learning
- graph-neural-networks
- dgl
- cheminformatics
Pathology Foundation Model - Nature Medicine
- foundation
- foundation-model
- histopathology
- mahmoodlab
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
- deep-learning
- pytorch
- deep-chemistry
- graph-neural-network
OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research