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    14 repositories

    • gchemol-core

      Public
      Core chemical objects for gchemol
      Rust
      •
      Apache License 2.0
      •0•0•0•0•Updated Mar 19, 2024Mar 19, 2024

    • parser

      Public
      text parsing made simple
      Rust
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Mar 6, 2024Mar 6, 2024

    • extxyz

      Public
      A fast parser for chemical file in the extended xyz (extxyz) format.
      Rust
      •
      Apache License 2.0
      •0•1•0•0•Updated Feb 21, 2024Feb 21, 2024

    • grep-reader

      Public
      Grep then read for very large files
      Rust
      •
      Apache License 2.0
      •0•0•0•0•Updated Feb 16, 2024Feb 16, 2024

    • gchemol

      Public
      Graph based CHEMical Object Library
      Rust
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Jul 3, 2023Jul 3, 2023

    • gchemol-readwrite

      Public
      Reading/writing chemical objects for gchemol
      Rust
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Jul 3, 2023Jul 3, 2023

    • gut

      Public
      Selected utilities for Rust development
      Rust
      •
      MIT License
      •0•0•0•0•Updated Apr 24, 2023Apr 24, 2023

    • vecfx

      Public
      extra batteries for a list of floats
      math
      Rust
      •0•0•0•0•Updated Mar 7, 2023Mar 7, 2023

    • lattice

      Public
      periodic crystal lattice
      Rust
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Mar 7, 2023Mar 7, 2023

    • nxgraph

      Public
      Networkx-like API wrapper around petgraph
      graph
      Rust
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Feb 12, 2023Feb 12, 2023

    • neighbors

      Public
      Nearest neighbors search for chemistry
      Rust
      •
      GNU General Public License v3.0
      •0•3•0•0•Updated Jan 17, 2023Jan 17, 2023

    • gchemol-python

      Public
      Python wrapper for gchemol
      Rust
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 17, 2022Dec 17, 2022

    • gchemol-geometry

      Public
      Rust
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Dec 8, 2022Dec 8, 2022

    • superpose

      Public
      0•0•0•0•Updated Jan 9, 2019Jan 9, 2019