sdfrust 0.5.0

A fast, pure-Rust parser for SDF, MOL2, and XYZ chemical structure files
Documentation 
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[workspace]
members = [".", "sdfrust-python"]
resolver = "2"

[package]
name = "sdfrust"
version = "0.5.0"
edition = "2024"
rust-version = "1.85"
authors = ["Hosein Fooladi"]
description = "A fast, pure-Rust parser for SDF, MOL2, and XYZ chemical structure files"
license = "MIT"
repository = "https://github.com/hfooladi/sdfrust"
readme = "README.md"
documentation = "https://docs.rs/sdfrust"
homepage = "https://github.com/hfooladi/sdfrust"
keywords = ["chemistry", "sdf", "mol2", "xyz", "cheminformatics"]
categories = ["science", "parser-implementations"]
exclude = [
    "tests/",
    "benches/",
    ".github/",
    "sdfrust-python/",
    "ROADMAP.md",
    "BENCHMARK_RESULTS.md",
    "CONTRIBUTORS.md",
    "CLAUDE.md",
]

[dependencies]
thiserror = "2.0"
nalgebra = { version = "0.32", optional = true }
flate2 = { version = "1.0", optional = true }

[features]
default = []
geometry = ["nalgebra"]
gzip = ["flate2"]

[dev-dependencies]
tempfile = "3.14"
criterion = { version = "0.5", features = ["html_reports"] }
rand = "0.8"

[[bench]]
name = "sdf_parse_benchmark"
harness = false

[[bench]]
name = "mol2_parse_benchmark"
harness = false

[[bench]]
name = "roundtrip_benchmark"
harness = false