Repository Index

Primary repository for the Trilinos Project

• snl-science-libs
• sandia-national-laboratories
• hpsf
• scientific-computing

Kratos Multiphysics (A.K.A Kratos) is a framework for building parallel multi-disciplinary simulation software. Modularity, extensibility and HPC are the main objectives. Kratos has BSD license and is written in C++ with extensive Python interface.

• kratos
• fem
• dem
• parallel-computing

Owl - OCaml Scientific Computing @ https://ocaml.xyz

• matrix
• linear-algebra
• ndarray
• statistical-functions

ANSI C library for NURBS, B-Splines, and Bézier curves with interfaces for C++, C#, D, Go, Java, Javascript, Lua, Octave, PHP, Python, R, and Ruby.

• nurbs
• b-splines
• bezier-curves
• splines

:chart_with_upwards_trend: Adaptive: parallel active learning of mathematical functions

• adaptive-learning
• machine-learning
• python
• live-plots

Official Repository for the Uni-Mol Series Methods

• molecular-modeling
• pre-trained-model
• pretraining
• deep-learning

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

Validated, scalable, community developed variant calling, RNA-seq and small RNA analysis

A coupling library and ecosystem for partitioned multi-physics and multi-scale simulations, including surface and volume coupling.

• multi-physics
• fluid-structure-interaction
• high-performance-computing
• conjugate-heat-transfer

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

linalg.h is a single header, public domain, short vector math library for C++

C++ library for solving large sparse linear systems with algebraic multigrid method

• amg
• c-plus-plus
• sparse-linear-systems
• opencl

Parallel solvers for sparse linear systems featuring multigrid methods.

• math-physics
• library
• hpc
• radiuss

A header-only C++ library for large scale eigenvalue problems

• eigenvalues
• arpack
• linear-algebra
• spectra

Polygonal Surface Reconstruction from Point Clouds (C++ & Python)

• surface-reconstruction
• urban-modeling
• urban-reconstruction
• primitive-extraction

Throw in the towel.

• dotnet
• towel
• csharp
• library

OpenChem: Deep Learning toolkit for Computational Chemistry and Drug Design Research

• computational-chemistry
• computational-biology
• deep-learning
• deep-neural-networks

Tasks Assessing Protein Embeddings (TAPE), a set of five biologically relevant semi-supervised learning tasks spread across different domains of protein biology.

• deep-learning
• protein-sequences
• protein-structure
• semi-supervised-learning

Clinical Histopathology Imaging Evaluation Foundation Model

:1234: Bits, bytes and general-purpose calculator

• storage
• storage-unit-converter
• command-line
• standalone

C++ library and cmdline tools for parsing and manipulating VCF files with python and zig bindings

• variant-calling
• genomics
• vcf-manipulation
• genotyping

Nonconvex embedded optimization: code generation for fast real-time optimization + ROS support

• embedded-optimization
• nonconvex
• model-predictive-control
• rust-library

FiPy is a Finite Volume PDE solver written in Python

• scientific-computing
• scientific-computing-with-python
• phase-field
• materials-science