octree 0.1.0

Octree algorithm for nearest neighbor search in 3D space
Documentation

This is my first crate for learning Rust.

Performance

test data: examples/data/3wu2.xyz, coordinates of 51053 particles extracted from a PDB file 3wu2 1

img

How to to reproduce

rust-octree (v0.0.6):

RAYON_NUM_THREADS=1 cargo run --example demo --release

scipy-ckdtree(v1.3.2):

ipython> edit scripts/bench.py
ipython> %timeit -n 10 run_test()

Related crates

References

Footnotes

1 https://www.rcsb.org/structure/3wu2