qsar 0.0.2

qsar: a small Rust library for computing molecular descriptors and integrating with Linfa for QSAR modeling.
Documentation 
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[dependencies.csv]
version = "1.1"

[dependencies.linfa]
version = "0.6"

[dependencies.linfa-datasets]
version = "0.6"

[dependencies.linfa-linear]
version = "0.6"

[dependencies.ndarray]
version = "0.15"

[dependencies.once_cell]
version = "1.17"

[dependencies.serde]
features = ["derive"]
version = "1.0"

[dependencies.serde_json]
version = "1.0"

[dependencies.thiserror]
version = "1.0"

[dev-dependencies.pretty_assertions]
version = "1.3"

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

[package]
authors = ["Saw Simeon <saw.s@ku.th>"]
autobenches = false
autobins = false
autoexamples = false
autolib = false
autotests = false
build = false
categories = ["science"]
description = "qsar: a small Rust library for computing molecular descriptors and integrating with Linfa for QSAR modeling."
documentation = "https://docs.rs/qsar"
edition = "2021"
homepage = "https://github.com/sawsimeon/qsar"
keywords = ["qsar", "cheminformatics", "descriptors", "machine-learning", "chemoinformatics"]
license-file = "LICENSE"
name = "qsar"
publish = true
readme = "README.md"
repository = "https://github.com/sawsimeon/qsar"
version = "0.0.2"

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