yomitoki 0.1.1

Fast, explainable, route-free molecular synthesizability diagnostics.
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"
rust-version = "1.88"
name = "yomitoki"
version = "0.1.1"
authors = ["kent-tokyo <kent-tokyo@users.noreply.github.com>"]
build = false
autolib = false
autobins = false
autoexamples = false
autotests = false
autobenches = false
description = "Fast, explainable, route-free molecular synthesizability diagnostics."
homepage = "https://github.com/kent-tokyo/yomitoki"
documentation = "https://docs.rs/yomitoki"
readme = "README.md"
keywords = [
    "chemistry",
    "cheminformatics",
    "smiles",
    "drug-discovery",
]
categories = ["science::computational-chemistry::cheminformatics"]
license = "MIT OR Apache-2.0"
repository = "https://github.com/kent-tokyo/yomitoki"

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

[[bin]]
name = "yomitoki"
path = "src/bin/yomitoki.rs"

[[example]]
name = "basic"
path = "examples/basic.rs"

[[example]]
name = "sa_score_comparison"
path = "examples/sa_score_comparison.rs"

[[test]]
name = "aggregation"
path = "tests/aggregation.rs"

[[test]]
name = "analyze_batch"
path = "tests/analyze_batch.rs"

[[test]]
name = "cli"
path = "tests/cli.rs"

[[test]]
name = "determinism"
path = "tests/determinism.rs"

[[test]]
name = "error_handling"
path = "tests/error_handling.rs"

[[test]]
name = "fragment_precedent"
path = "tests/fragment_precedent.rs"

[[test]]
name = "functional_group_liability"
path = "tests/functional_group_liability.rs"

[[test]]
name = "property_based"
path = "tests/property_based.rs"

[[test]]
name = "ring_topology"
path = "tests/ring_topology.rs"

[[test]]
name = "serialization"
path = "tests/serialization.rs"

[[test]]
name = "size_topology"
path = "tests/size_topology.rs"

[[test]]
name = "stereochemical_burden"
path = "tests/stereochemical_burden.rs"

[[test]]
name = "suggestions"
path = "tests/suggestions.rs"

[dependencies.chematic]
version = "0.13"
features = [
    "smiles",
    "perception",
    "chem",
    "mol",
    "fp",
]

[dependencies.serde]
version = "1"
features = ["derive"]

[dependencies.serde_json]
version = "1"

[dependencies.sha2]
version = "0.10"

[dev-dependencies.proptest]
version = "1"

[dev-dependencies.tempfile]
version = "3"