Automic VaultAutomic Vault

brew

使用 Homebrew, dnf, Nix, pacman, zypper, apt, MacPorts 安装 inchi

查看 inchi 的安装路径、可执行文件、元数据以及面向 AI 代理工作流的安全说明。

安装命令安全说明

安装

其他安装命令

macOS

Homebrew已验证 · 100%
brew install inchi

local Homebrew formula metadata

MacPorts已验证 · 94%
sudo port install inchi-1

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

Linux

Fedora dnf已验证 · 92%
sudo dnf install inchi

Fedora Rawhide package metadata · inchi · 来源: dl.fedoraproject.org

Nix已验证 · 92%
nix profile install nixpkgs#inchi

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

Arch Linux pacman已验证 · 92%
sudo pacman -S inchi

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

openSUSE zypper已验证 · 92%
sudo zypper install inchi

openSUSE Tumbleweed package metadata · inchi · 来源: download.opensuse.org

Debian apt已验证 · 92%
sudo apt install libinchi-bin

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

概览

软件包摘要

IUPAC International Chemical Identifier

命令和别名

  • inchi-1
  • inchi_main

历史

项目历史与用法

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.

项目历史

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.

采用历史

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.

使用方式

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.

为什么软件包爱好者会关心

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.

时间线

  • 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.

安全态势

风险级别：绿色

narrow executable package without higher-risk signals.

风险分类器

绿色 风险 · 低 置信度 · appliance

原因

  • narrow executable package without higher-risk signals

信号

  • metadata:no-higher-risk-signals

安装行为

  • formula 元数据中未记录 Homebrew post-install 钩子。
  • Homebrew bottle 元数据适用于 6 个平台目标。
  • 构建元数据列出 1 个构建依赖。

建议审查

在无人值守的代理使用前，请检查该工具是否读取明文凭据、写入远程状态、发布制品或调用插件。

可执行文件

已安装的可执行文件

命令类型暴露范围备注
inchi-1cli全局可执行文件
inchi_maincli全局可执行文件

新鲜度

版本和新鲜度

这些信号区分页生成时间、软件包管理器活动和上游发布比较。只有存在证据 URL 和可比较版本时，才会提示版本落后。

页面生成时间2026-07-10
管理器版本1.07.5
管理器更新时间
本地数据OK
上游当前
检测到的最新版本v1.07.5

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

  • 信息No package-manager update timestamp was available.低 置信度

安装元数据

软件包元数据

软件包键brew:inchi
版本1.07.5
软件包管理器Homebrew
软件包管理器页面https://formulae.brew.sh/formula/inchi
主页https://www.inchi-trust.org/
仓库https://github.com/IUPAC-InChI/InChI
上游文档https://inchi-trust.info/wp/downloads
许可证MIT
源码归档https://github.com/IUPAC-InChI/InChI/archive/refs/tags/v1.07.5.tar.gz
构建依赖cmake
Bottle可用 (于 arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux)
Homebrew post-install未定义
服务未声明

注册表事实

源数据库详情

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

源数据库匹配

其他软件包管理器记录

匹配项来自外部软件包管理器索引，并与本地 Automic Vault 软件包链接分开显示。

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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • 1 提供
  • normalized package name match
  • 匹配方式：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 依赖
  • 1 提供
  • normalized package name match
  • 匹配方式：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 依赖
  • 1 提供
  • normalized package name match
  • 匹配方式：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 依赖
  • 2 提供
  • normalized package name match
  • 匹配方式：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 依赖
  • normalized package name match
  • 匹配方式：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 依赖
  • 1 提供
  • normalized package name match
  • 匹配方式：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 依赖
  • 1 提供
  • normalized package name match
  • 匹配方式：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
  • 匹配方式：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 依赖
  • 2 提供
  • normalized package name match
  • 匹配方式：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

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  • Geiger risk classifier
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