Pinned

1. gchemol/gchemol Public

   Graph based CHEMical Object Library

   Rust

2. rust-octree Public

   rust implementation of octree algorithm for nearest neighbor search in 3D space

   Rust 32 3

3. gosh-rs/gosh Public

   Rusty framework for multiscale/multilevel modeling

   Rust 2

4. rust-lbfgs Public

   LBFGS optimization algorithm ported from liblbfgs

   Rust 9 2

5. gosh-rs/dimer Public

   DIMER algorithm for reaction path optimization

   Rust

6. spdkit/magman Public

   Python