mol_defs 0.1.0

Molecule data structures for computational chemistry and drug discovery
Documentation 
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# THIS FILE IS AUTOMATICALLY GENERATED BY CARGO
#
# When uploading crates to the registry Cargo will automatically
# "normalize" Cargo.toml files for maximal compatibility
# with all versions of Cargo and also rewrite `path` dependencies
# to registry (e.g., crates.io) dependencies.
#
# If you are reading this file be aware that the original Cargo.toml
# will likely look very different (and much more reasonable).
# See Cargo.toml.orig for the original contents.

[package]
edition = "2024"
name = "mol_defs"
version = "0.1.0"
authors = ["David O'Connor <the_alchemist@fastmail.com>"]
build = false
exclude = [".gitignore"]
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Molecule data structures for computational chemistry and drug discovery"
documentation = "https://docs.rs/mol_defs"
readme = "README.md"
keywords = [
    "molecule",
    "atom",
    "conformer",
    "pharmacophore",
    "biology",
]
categories = [
    "science::bioinformatics::proteomics",
    "science::bioinformatics::sequence-analysis",
    "science::computational-biology::structural-modeling",
    "science::computational-chemistry::cheminformatics",
]
license = "MIT"
repository = "https://github.com/David-OConnor/mol_defs"

[features]
default = []
render = ["graphics"]

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

[dependencies.bincode]
version = "2.0.1"

[dependencies.bio_apis]
version = "0.2.8"
features = ["encode"]

[dependencies.bio_files]
version = "0.5.3"
features = ["encode"]

[dependencies.dynamics]
version = "0.2.1"
features = ["encode"]

[dependencies.graphics]
version = "0.6.3"
features = ["app_utils"]
optional = true

[dependencies.lin_alg]
version = "1.4.3"
features = ["encode"]

[dependencies.mcubes]
version = "0.1.7"

[dependencies.na_seq]
version = "0.3.15"

[dependencies.rand]
version = "0.10.2"

[dependencies.rayon]
version = "1.12.0"