Repository Index

FiPy is a Finite Volume PDE solver written in Python

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

DiffSharp: Differentiable Functional Programming

• machine-learning
• tensor
• dotnet
• autodiff

A Euclidean diffusion model for structure-based drug design.

• ddpm
• drug-design
• equivariance
• generative-model

The fastest automatic differentiation library for C++, with Python bindings. Forward, adjoint and higher-order derivatives, checkpointing, Eigen support and JIT. Reproducible benchmarks against CppAD, Adept and autodiff.

• automatic-differentiation
• aad
• algorithmic-differentiation
• autodiff

Iterative Linear Quadratic Regulator with auto-differentiatiable dynamics models

• trajectory-optimization
• differential-dynamic-programming
• theano
• dynamics-models

V library to develop Artificial Intelligence and High-Performance Scientific Computations

• v
• hacktoberfest
• linear-algebra
• optimization

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

Solve automatic numerical differentiation problems in one or more variables.

A general library for geometry operations of union, intersections, difference, and xor

• computational-geometry
• union
• intersection
• xor

A simple cross platform .NET API for Intel MKL

• mkl
• cross-platform
• matrix
• linear-algebra

Accelerated tensor operations and dynamic neural networks based on reverse mode automatic differentiation for every device that can run Swift - from watchOS to Linux

• deep-learning
• deep-neural-networks
• gradient-descent
• automatic-differentiation

A .NET library that provides fast, accurate and automatic differentiation (computes derivative / gradient) of mathematical functions.

• mathematical-modelling
• automatic-differentiation
• mathematics
• math

ODE system solver made simple. For IVPs (initial value problems).

• runge-kutta-fehlberg
• runge-kutta
• simulation
• ode-solver

An ordinary differential equation solving library in golang.

• ode
• solving-library
• multivariate
• differential-equations

Preview Go struct field-alignment savings as a diff, not a rewrite.

• cli
• go
• go-tools
• golang