chematic-ff 0.2.11

DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics
Documentation
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[package]
edition = "2024"
name = "chematic-ff"
version = "0.2.11"
authors = ["kent-tokyo <kent-tokyo@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "DREIDING force field atom typing and parameters for chematic — pure-Rust cheminformatics"
homepage = "https://kent-tokyo.github.io/chematic/"
documentation = "https://docs.rs/chematic-ff"
readme = "README.md"
keywords = [
    "force-field",
    "dreiding",
    "cheminformatics",
    "molecular-dynamics",
    "wasm",
]
categories = [
    "science",
    "science::computational-chemistry::cheminformatics",
]
license = "MIT OR Apache-2.0"
repository = "https://github.com/kent-tokyo/chematic"
resolver = "2"

[package.metadata.docs.rs]
rustdoc-args = [
    "--cfg",
    "docsrs",
]

[lib]
name = "chematic_ff"
path = "src/lib.rs"

[dependencies.chematic-core]
version = "0.2.0"

[dependencies.chematic-perception]
version = "0.2.0"

[dev-dependencies.chematic-smiles]
version = "0.2.0"