Automic VaultAutomic Vault

brew

inchi を Homebrew, dnf, Nix, pacman, zypper, apt, MacPorts でインストール

inchi のインストール経路、実行ファイル、メタデータ、AI エージェント向けセキュリティノートを確認します。

インストールコマンドセキュリティノート

インストール

追加のインストールコマンド

macOS

Homebrew確認済み · 100%
brew install inchi

local Homebrew formula metadata

MacPorts確認済み · 94%
sudo port install inchi-1

MacPorts ports tree · science/inchi-1/Portfile · ソース: api.github.com

Linux

Fedora dnf確認済み · 92%
sudo dnf install inchi

Fedora Rawhide package metadata · inchi · ソース: dl.fedoraproject.org

Nix確認済み · 92%
nix profile install nixpkgs#inchi

nixpkgs package indexes · pkgs/by-name/in/inchi/package.nix · ソース: api.github.com

Arch Linux pacman確認済み · 92%
sudo pacman -S inchi

Arch Linux sync databases · inchi · ソース: geo.mirror.pkgbuild.com

openSUSE zypper確認済み · 92%
sudo zypper install inchi

openSUSE Tumbleweed package metadata · inchi · ソース: download.opensuse.org

Debian apt確認済み · 92%
sudo apt install libinchi-bin

Debian stable package indexes · libinchi-bin · ソース: deb.debian.org

概要

パッケージ概要

IUPAC International Chemical Identifier

コマンドとエイリアス

  • inchi-1
  • inchi_main

履歴

プロジェクトの歴史と使われ方

InChI is the IUPAC International Chemical Identifier and its package provides command-line software for generating structure-based chemical identifiers. It is both a chemistry standard and a practical CLI used by cheminformatics databases, toolkits, and data pipelines.

プロジェクトの歴史

IUPAC's Chemistry International announced version 1.0 of InChI in April 2005, with software, documentation, source code, and licensing available from IUPAC. The release framed InChI as a unique molecular label derived from layered chemical information such as connectivity, tautomerism, isotopes, stereochemistry, and charge.

The InChI Trust's history records the Standard InChI and InChIKey release in January 2009 and the formation of the InChI Trust in July 2009. Later releases expanded the software around certification, Reaction InChI, polymer and pseudo-atom support, and new extension work.

In 2024 the core code and development framework moved to GitHub. IUPAC and the InChI Trust described the 1.07 line as a milestone for sustainable open development, wider contribution, MIT licensing, and future extensions for inorganic, organometallic, mixtures, and reactions work.

採用の歴史

The InChI Trust describes InChI as a standard identifier for chemical databases and says it is used by most large chemical databases and software applications handling many millions of chemical structures. Its adoption is tied to the need for stable, machine-readable identifiers that can link chemistry data across databases and the web.

Package-manager adoption is broad for a scientific command-line tool: the batch metadata lists Homebrew, Debian, Fedora, MacPorts, Nix, Arch, Ubuntu, and openSUSE packages. That breadth reflects InChI's role as infrastructure underneath cheminformatics applications rather than a standalone end-user app.

使われ方

The CLI tools generate InChI strings and InChIKeys from chemical structure input. They are used in database normalization, deduplication, search indexing, data exchange, laboratory inventory workflows, and package tests for chemistry software that embeds or shells out to the reference implementation.

InChIKey's shorter hashed representation is used where full InChI strings are awkward for search engines and database indexes, while the full InChI retains the layered chemical identity information.

パッケージ好きにとっての重要性

For package maintainers, InChI is a rare case where a formal scientific identifier standard ships as a small command-line package. It matters because reproducible chemistry data depends on everyone using the same reference algorithm, versioned source, and testable binaries.

The move to GitHub made the package easier to audit and integrate into ordinary open-source workflows, while preserving the standards governance role of IUPAC and the InChI Trust.

タイムライン

  • 2005: InChI 1.0 released by IUPAC.
  • 2009: Standard InChI and InChIKey released; InChI Trust formed.
  • 2011: InChI 1.04 and the InChI Certification Suite released.
  • 2017: InChI 1.05 and Reaction InChI 1.0 released.
  • 2020: InChI 1.06 released with pseudo-atom and polymer-oriented improvements.
  • 2024: InChI 1.07 development moved to GitHub with MIT licensing.

Related projects

  • RInChI extends the identifier idea to chemical reactions.
  • SMILES, PubChem, ChemSpider, ChEMBL, chemistry toolkits, and database indexing systems are adjacent technologies and adoption surfaces.

セキュリティ状態

リスクレベル: グリーン

narrow executable package without higher-risk signals.

リスク分類器

リスク グリーン · 信頼度 低 · appliance

理由

  • narrow executable package without higher-risk signals

信号

  • metadata:no-higher-risk-signals

インストール挙動

  • formula メタデータに Homebrew post-install フックは記録されていません。
  • Homebrew bottle メタデータは 6 個のプラットフォームターゲットで利用できます。
  • ビルドメタデータには 1 件のビルド依存関係があります。

推奨レビュー

エージェントに無人実行させる前に、このツールが平文の認証情報を読むか、リモート状態を書き込むか、成果物を公開するか、プラグインを起動するかを確認してください。

実行可能ファイル

インストールされる実行可能ファイル

コマンド種類公開範囲メモ
inchi-1cliグローバル実行可能ファイル
inchi_maincliグローバル実行可能ファイル

鮮度

バージョンと鮮度

これらの信号は、ページ生成時期、パッケージマネージャの活動、上流リリース比較を分けて示します。バージョン遅れは、証拠 URL と比較可能なバージョンがある場合だけ警告されます。

ページ生成日2026-07-10
マネージャ版1.07.5
マネージャ更新日
ローカルデータOK
上流最新
検出された最新v1.07.5

https://github.com/IUPAC-InChI/InChI

  • 情報No package-manager update timestamp was available.信頼度 低

インストールメタデータ

パッケージメタデータ

パッケージキーbrew:inchi
バージョン1.07.5
パッケージマネージャHomebrew
パッケージマネージャページhttps://formulae.brew.sh/formula/inchi
ホームページhttps://www.inchi-trust.org/
リポジトリhttps://github.com/IUPAC-InChI/InChI
上流ドキュメントhttps://inchi-trust.info/wp/downloads
ライセンスMIT
ソースアーカイブhttps://github.com/IUPAC-InChI/InChI/archive/refs/tags/v1.07.5.tar.gz
ビルド依存関係cmake
Bottle利用可能 (対象 arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux)
Homebrew post-install未定義
サービス宣言なし

レジストリ情報

ソースデータベース詳細

Source DatabaseHomebrew formula API
Taphomebrew/core
Full Nameinchi
Version Scheme0
Revision0
Bottle Stable Root URLhttps://ghcr.io/v2/homebrew/core
Deprecatedno
Disabledno
Keg Onlyno
URL Keys
  • stable

ソースデータベース一致

他のパッケージマネージャ記録

一致は外部パッケージマネージャインデックスから取得され、ローカルの Automic Vault パッケージリンクとは分けて表示されます。

Debian apt95%

libinchi-bin 1.07.3+dfsg-1

International Chemical Identifier (InChI) algorithm (executable)

https://www.inchi-trust.org

sudo apt install libinchi-bin
  • Section: science
  • Architecture: amd64
  • Source Package: inchi
  • 2 依存関係
  • normalized package name match
  • 一致条件: Inchi
Debian stable package indexes · deb.debian.org · Debian stable package indexes: libinchi-bin from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

libinchi-dev 1.07.3+dfsg-1

International Chemical Identifier (InChI) algorithm (development files)

https://www.inchi-trust.org

sudo apt install libinchi-dev
  • Section: libdevel
  • Architecture: amd64
  • Source Package: inchi
  • 1 依存関係
  • normalized package name match
  • 一致条件: Inchi
Debian stable package indexes · deb.debian.org · Debian stable package indexes: libinchi-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

libinchi1.07 1.07.3+dfsg-1

International Chemical Identifier (InChI) algorithm (library)

https://www.inchi-trust.org

sudo apt install libinchi1.07
  • Section: libs
  • Architecture: amd64
  • Source Package: inchi
  • 1 依存関係
  • normalized package name match
  • 一致条件: Inchi
Debian stable package indexes · deb.debian.org · Debian stable package indexes: libinchi1.07 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Nix95%

inchi

nix profile install nixpkgs#inchi
  • normalized package name match
  • 一致条件: Inchi
nixpkgs package indexes · api.github.com · nixpkgs package indexes: pkgs/by-name/in/inchi/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1
Ubuntu apt95%

libinchi-bin 1.03+dfsg-4build1

International Chemical Identifier (InChI) algorithm (executable)

https://www.inchi-trust.org

sudo apt install libinchi-bin
  • Section: universe/science
  • Architecture: amd64
  • Source Package: inchi
  • 2 依存関係
  • normalized package name match
  • 一致条件: Inchi
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: libinchi-bin from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

libinchi-dev 1.03+dfsg-4build1

International Chemical Identifier (InChI) algorithm (development files)

https://www.inchi-trust.org

sudo apt install libinchi-dev
  • Section: universe/libdevel
  • Architecture: amd64
  • Source Package: inchi
  • 1 依存関係
  • normalized package name match
  • 一致条件: Inchi
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: libinchi-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

libinchi1 1.03+dfsg-4build1

International Chemical Identifier (InChI) algorithm (library)

https://www.inchi-trust.org

sudo apt install libinchi1
  • Section: universe/libs
  • Architecture: amd64
  • Source Package: inchi
  • 1 依存関係
  • normalized package name match
  • 一致条件: Inchi
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: libinchi1 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
dnf95%

inchi 1.0.6-14.fc44

The IUPAC International Chemical Identifier library

https://www.inchi-trust.org/about-the-inchi-standard/

sudo dnf install inchi
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: inchi
  • 3 依存関係
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: inchi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
dnf95%

inchi-devel 1.0.6-14.fc44

Development headers for the InChI library

https://www.inchi-trust.org/about-the-inchi-standard/

sudo dnf install inchi-devel
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: i686
  • Source Package: inchi
  • 2 依存関係
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: inchi-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
dnf95%

inchi-doc 1.0.6-14.fc44

Documentation for the InChI library

https://www.inchi-trust.org/about-the-inchi-standard/

sudo dnf install inchi-doc
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: noarch
  • Source Package: inchi
  • 1 依存関係
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: inchi-doc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
dnf95%

inchi-libs 1.0.6-14.fc44

The IUPAC International Chemical Identifier library

https://www.inchi-trust.org/about-the-inchi-standard/

sudo dnf install inchi-libs
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: i686
  • Source Package: inchi
  • 3 依存関係
  • 2 提供
  • normalized package name match
  • 一致条件: Inchi
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: inchi-libs from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
pacman95%

inchi 1.07.5-1

The IUPAC International Chemical Identifier

https://github.com/IUPAC-InChI/InChI

sudo pacman -S inchi
  • License: MIT
  • Architecture: x86_64
  • 1 依存関係
  • normalized package name match
  • 一致条件: Inchi
Arch Linux sync databases · geo.mirror.pkgbuild.com · Arch Linux sync databases: inchi from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz
zypper95%

inchi 1.07.5-1.2

The IUPAC International Chemical Identifier

https://www.inchi-trust.org/

sudo zypper install inchi
  • License: MIT
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: inchi
  • 2 依存関係
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: inchi from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst
zypper95%

inchi-devel 1.07.5-1.2

Development headers for the InChI library

https://www.inchi-trust.org/

sudo zypper install inchi-devel
  • License: MIT
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: inchi
  • 1 依存関係
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: inchi-devel from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst
zypper95%

inchi-doc 1.07.5-1.2

Documentation for the InChI library

https://www.inchi-trust.org/

sudo zypper install inchi-doc
  • License: MIT
  • Category: Unspecified
  • Architecture: noarch
  • Source Package: inchi
  • 1 提供
  • normalized package name match
  • 一致条件: Inchi
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: inchi-doc from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst
zypper95%

libinchi1 1.07.5-1.2

The IUPAC International Chemical Identifier library

https://www.inchi-trust.org/

sudo zypper install libinchi1
  • License: MIT
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: inchi
  • 3 依存関係
  • 2 提供
  • normalized package name match
  • 一致条件: Inchi
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: libinchi1 from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst

パッケージグラフ

リンクは、ローカルのパッケージ関係グラフ、補足データ、依存関係、エコシステム一致、パッケージハブ所属から来ています。

関連ツール

  • cmakeBuild dependency declared by Homebrew.
  • open-babelPopular package that depends on this formula.
  • rdkitPopular package that depends on this formula.

同じワークフロー

  • gabeditShares av.db curated category or tags: chemistry, cli, science.
  • packmolShares av.db curated category or tags: chemistry, cli, science.
  • pymolShares av.db curated category or tags: chemistry, cli, science.
  • aamathShares av.db curated category or tags: cli, science.
  • abpoaShares av.db curated category or tags: cli, science.
  • abricateShares av.db curated category or tags: cli, science.

エージェント安全ガイド

ソース経路

リポジトリデータから生成

このページは scripts/generate-pkg-sqlite.py が生成した非公開のパッケージ SQLite アーティファクトから av-web によって提供されます。

使用ソース

  • Geiger risk classifier
  • Nucleus package database
  • av.db category and tag curation
  • cross-ecosystem install command graph
  • curated package history
  • external package-manager database matches
  • package relationship graph
  • package version freshness
  • package-page enrichment