Alternatives and similar repositories for molpipx

Users that are interested in molpipx are comparing it to the libraries listed below

• felipeZ / eigenvalues
  symmetric matrices algorithms to compute eigenvalue/eigenvector pairs
  ☆43Updated 3 years ago
• dftworks / dftworks
  ☆61Updated 3 weeks ago
• Jianqoq / Hpt
  A high performance N-dimensional array library for Rust
  ☆42Updated 4 months ago
• jlogan03 / interpn
  N-dimensional interpolation methods in Rust and Python, no-std compatible
  ☆19Updated this week
• relf / egobox
  Efficient global optimization toolbox in Rust: bayesian optimization, mixture of gaussian processes, sampling methods
  ☆142Updated this week
• itt-ustutt / num-dual
  Generalized (hyper-) dual numbers in rust
  ☆75Updated 2 weeks ago
• martinjrobins / diffsol
  ODE solver library in Rust
  ☆77Updated last week
• EnzymeAD / rust
  A rust fork to work towards Enzyme integration
  ☆92Updated 4 months ago
• nestordemeure / friedrich
  A Rust implementation of Gaussian Process regression.
  ☆56Updated last year
• Luthaf / wigners
  Calculation of Wigner symbols and related constants
  ☆11Updated 5 months ago
• RESTGroup / rstsr
  An n-dimensional rust tensor library
  ☆28Updated this week
• SunDoge / dlpark
  A Rust Library for High-Performance Tensor Exchange with Python
  ☆47Updated last month
• linalg-rs / rlst
  Rust Linear Solver Toolbox
  ☆73Updated last week
• feos-org / feos
  FeOs - A Framework for Equations of State and Classical Density Functional Theory
  ☆162Updated last week
• rust-ndarray / ndarray-examples
  A collection of examples leveraging the ndarray ecosystem.
  ☆18Updated 5 years ago
• bempp / kifmm
  Fast Multipole Methods in Rust
  ☆18Updated this week
• cksac / rai
  RAI: Rust ML framework with composable transformations like JAX.
  ☆93Updated last year
• oracleofnj / einsum
  Einstein summation for Rust
  ☆40Updated 4 years ago
• EnzymeAD / oxide-enzyme
  Enzyme integration into Rust. Experimental, do not use.
  ☆102Updated 2 years ago
• Ryan-D-Gast / differential-equations
  A high-performance library for numerically solving differential equations in Rust
  ☆77Updated last month
• At0micBee / scilib
  A rust crate for mathematics and science
  ☆41Updated 2 years ago
• lumol-org / lumol
  Universal extensible molecular simulation engine
  ☆203Updated last year
• rust-scicomp / scientific-computing-in-rust-monthly
  ☆43Updated this week
• UCL-ARC / householder
  A native Rust library for advanced Linear Algebra routines
  ☆24Updated 2 years ago
• seatonullberg / velvet
  [WIP] Classical atomistic simulation engine with a focus on user-friendliness and extensibility
  ☆11Updated 2 years ago
• metatensor / metatensor
  Self-describing sparse tensor data format for atomistic machine learning and beyond
  ☆87Updated last week
• cool-japan / scirs
  SciRS2 - Scientific Computing and AI in Rust
  ☆75Updated this week
• jinlow / forust
  A lightweight gradient boosted decision tree package.
  ☆79Updated 6 months ago
• rust-ml / linfa-linalg
  ☆33Updated 5 months ago
• cpmech / russell
  Rust Scientific Libary. ODE and DAE (Runge-Kutta) solvers. Special functions (Bessel, Elliptic, Beta, Gamma, Erf). Linear algebra. Sparse…
  ☆172Updated last week