macOS
Homebrewverifiziert · 100%
brew install inchilocal Homebrew formula metadata
MacPortsverifiziert · 94%
sudo port install inchi-1MacPorts ports tree · science/inchi-1/Portfile · Quelle: api.github.com
brew
inchi mit Homebrew, dnf, Nix, pacman, zypper, apt, MacPorts installieren
Prüfe Installationswege, Executables, Metadaten und Sicherheitshinweise für inchi in AI-Agent-Workflows.
Installation
Weitere Installationsbefehle
Linux
Fedora dnfverifiziert · 92%
sudo dnf install inchiFedora Rawhide package metadata · inchi · Quelle: dl.fedoraproject.org
Nixverifiziert · 92%
nix profile install nixpkgs#inchinixpkgs package indexes · pkgs/by-name/in/inchi/package.nix · Quelle: api.github.com
Arch Linux pacmanverifiziert · 92%
sudo pacman -S inchiArch Linux sync databases · inchi · Quelle: geo.mirror.pkgbuild.com
openSUSE zypperverifiziert · 92%
sudo zypper install inchiopenSUSE Tumbleweed package metadata · inchi · Quelle: download.opensuse.org
Debian aptverifiziert · 92%
sudo apt install libinchi-binDebian stable package indexes · libinchi-bin · Quelle: deb.debian.org
Überblick
Paketzusammenfassung
IUPAC International Chemical Identifier
Projektlinks
Befehle und Aliase
- inchi-1
- inchi_main
Verlauf
Projektgeschichte und Nutzung
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.
Projektgeschichte
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.
Adoptionsgeschichte
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.
Wie es verwendet wird
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.
Warum Paket-Nerds sich dafür interessieren
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.
Zeitleiste
- 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.
Quellen
- https://api.github.com/repos/IUPAC-InChI/InChI/releases
- https://github.com/IUPAC-InChI/InChI
- https://publications.iupac.org/ci/2005/2704/july05.pdf
- https://www.inchi-trust.org/about-the-inchi-standard/
- https://www.inchi-trust.org/inchi-news-and-articles/
- https://www.inchi-trust.org/iupac-inchi-moves-to-github-to-support-sustainable-chemical-standards-development/
- https://www.inchi-trust.org/technical-faq/
- input.json source_facts.package-manager
Sicherheitslage
Risikostufe: grün
narrow executable package without higher-risk signals.
Risikoklassifikator
grün Risiko · niedrig Konfidenz · appliance
Warum
- narrow executable package without higher-risk signals
Signale
- metadata:no-higher-risk-signals
Installationsverhalten
- In den Formelmetadaten ist kein Homebrew-Post-install-Hook erfasst.
- Homebrew-Bottle-Metadaten sind für 6 Plattformziele verfügbar.
- Build-Metadaten listen 1 Build-Abhängigkeiten.
Empfohlene Prüfung
Prüfe vor unbeaufsichtigter Agent-Nutzung, ob das Tool Klartext-Credentials liest, Remote-Zustand schreibt, Artefakte veröffentlicht oder Plugins ausführt.
Executables
Installierte Executables
| Befehl | Art | Sichtbarkeit | Hinweis |
|---|---|---|---|
inchi-1 | cli | globales Executable | |
inchi_main | cli | globales Executable |
Aktualität
Version und Aktualität
Diese Signale trennen das Alter der Seitengenerierung, Aktivität des Paketmanagers und Upstream-Release-Vergleich. Versionsrückstand wird nur gemeldet, wenn eine Evidenz-URL und vergleichbare Versionen vorhanden sind.
Seite generiert2026-07-10
Manager-Version1.07.5
Manager aktualisiert
lokale DatenOK
Upstreamaktuell
neueste erkannte Versionv1.07.5
https://github.com/IUPAC-InChI/InChI
- InfoNo package-manager update timestamp was available.niedrig Konfidenz
Installationsmetadaten
Paketmetadaten
| Paketschlüssel | brew:inchi |
|---|---|
| Version | 1.07.5 |
| Paketmanager | Homebrew |
| Paketmanager-Seite | https://formulae.brew.sh/formula/inchi |
| Homepage | https://www.inchi-trust.org/ |
| Repository | https://github.com/IUPAC-InChI/InChI |
| Upstream-Dokumentation | https://inchi-trust.info/wp/downloads |
| Lizenz | MIT |
| Quellarchiv | https://github.com/IUPAC-InChI/InChI/archive/refs/tags/v1.07.5.tar.gz |
| Build-Abhängigkeiten | cmake |
| Bottle | verfügbar (auf arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | nicht definiert |
| Dienst | keiner deklariert |
Registry-Fakten
Details aus der Quelldatenbank
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | inchi |
| Version Scheme | 0 |
| Revision | 0 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
Source-Datenbank-Treffer
Andere Paketmanager-Einträge
Treffer stammen aus externen Paketmanager-Indizes und bleiben von lokalen Automic-Vault-Paketlinks getrennt.
Debian apt95%
libinchi-bin 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (executable)
sudo apt install libinchi-bin- Section: science
- Architecture: amd64
- Source Package: inchi
- 2 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
Debian apt95%
libinchi-dev 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (development files)
sudo apt install libinchi-dev- Section: libdevel
- Architecture: amd64
- Source Package: inchi
- 1 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
Debian apt95%
libinchi1.07 1.07.3+dfsg-1
International Chemical Identifier (InChI) algorithm (library)
sudo apt install libinchi1.07- Section: libs
- Architecture: amd64
- Source Package: inchi
- 1 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
Nix95%
inchi
nix profile install nixpkgs#inchi- normalized package name match
- Abgeglichen nach: Inchi
Ubuntu apt95%
libinchi-bin 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (executable)
sudo apt install libinchi-bin- Section: universe/science
- Architecture: amd64
- Source Package: inchi
- 2 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
Ubuntu apt95%
libinchi-dev 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (development files)
sudo apt install libinchi-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: inchi
- 1 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
Ubuntu apt95%
libinchi1 1.03+dfsg-4build1
International Chemical Identifier (InChI) algorithm (library)
sudo apt install libinchi1- Section: universe/libs
- Architecture: amd64
- Source Package: inchi
- 1 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
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 Abhängigkeiten
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
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 Abhängigkeiten
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
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 Abhängigkeiten
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
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 Abhängigkeiten
- 2 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
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 Abhängigkeiten
- normalized package name match
- Abgeglichen nach: Inchi
zypper95%
inchi 1.07.5-1.2
The IUPAC International Chemical Identifier
sudo zypper install inchi- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 2 Abhängigkeiten
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
zypper95%
inchi-devel 1.07.5-1.2
Development headers for the InChI library
sudo zypper install inchi-devel- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 1 Abhängigkeiten
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
zypper95%
inchi-doc 1.07.5-1.2
Documentation for the InChI library
sudo zypper install inchi-doc- License: MIT
- Category: Unspecified
- Architecture: noarch
- Source Package: inchi
- 1 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
zypper95%
libinchi1 1.07.5-1.2
The IUPAC International Chemical Identifier library
sudo zypper install libinchi1- License: MIT
- Category: Unspecified
- Architecture: x86_64
- Source Package: inchi
- 3 Abhängigkeiten
- 2 stellt bereit
- normalized package name match
- Abgeglichen nach: Inchi
Quellspur
Aus Repository-Daten generiert
Diese Seite wird von av-web aus dem privaten Paket-SQLite-Artefakt bereitgestellt, das scripts/generate-pkg-sqlite.py erstellt.
Combined YAML source
View the package source record on GitHub.
Verwendete Quellen
- 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