#nearest-neighbors #octree #data-structures #nearest-neighbor

octree

Octree algorithm for nearest neighbor search in 3D space

2 unstable releases

0.1.0 Mar 10, 2020
0.0.6 Feb 6, 2020

#1356 in Algorithms

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214 downloads per month
Used in 16 crates (via gchemol-neighbors)

MIT/Apache

1.5MB
545 lines

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

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

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

Dependencies