Issues

• On CUDA, the neighbour list gives its pairs in a different order on every call

  Luthaf/vesin#190 · Filter by author iwyoo opened on Sep 30, 2026
  4

• Add a batched API

  Luthaf/vesin#187 · Filter by author Luthaf opened on Sep 14, 2026
  2

• Track statistics

  Luthaf/vesin#168 · Filter by author Luthaf opened on Jun 4, 2026

• maint: consider more benchmarks

  Luthaf/vesin#96 · Filter by author HaoZeke opened on Dec 12, 2025

• Add instructions in the docs how to build vesin in local editable mode

  Luthaf/vesin#57 · Filter by author bananenpampe opened on Aug 12, 2025
  1

• Request: Benchmark Comparison with PyTorch Geometric's radius_graph for Chemistry Applications

  Luthaf/vesin#41 · Filter by author ericyuan00000 opened on Apr 9, 2025
  5

• find k nearest neighbors within r_cutoff

  Luthaf/vesin#32 · Filter by author yzchen08 opened on Dec 3, 2024
  2

• Add a "reverse" output

  Luthaf/vesin#26 · Filter by author Luthaf opened on Nov 13, 2024

• Add a "padded NL" option

  enhancement
  Luthaf/vesin#24 · Filter by author Luthaf opened on Nov 13, 2024