macOS
Homebrewvérifié · 100%
brew install inchilocal Homebrew formula metadata
MacPortsvérifié · 94%
sudo port install inchi-1MacPorts ports tree · science/inchi-1/Portfile · Source: api.github.com
brew
Installer inchi avec Homebrew, dnf, Nix, pacman, zypper, apt, MacPorts
Consultez les chemins d'installation, exécutables, métadonnées et notes de sécurité de inchi pour les workflows d'agents IA.
installation
Commandes d'installation supplémentaires
Linux
Fedora dnfvérifié · 92%
sudo dnf install inchiFedora Rawhide package metadata · inchi · Source: dl.fedoraproject.org
Nixvérifié · 92%
nix profile install nixpkgs#inchinixpkgs package indexes · pkgs/by-name/in/inchi/package.nix · Source: api.github.com
Arch Linux pacmanvérifié · 92%
sudo pacman -S inchiArch Linux sync databases · inchi · Source: geo.mirror.pkgbuild.com
openSUSE zyppervérifié · 92%
sudo zypper install inchiopenSUSE Tumbleweed package metadata · inchi · Source: download.opensuse.org
Debian aptvérifié · 92%
sudo apt install libinchi-binDebian stable package indexes · libinchi-bin · Source: deb.debian.org
aperçu
Résumé du paquet
IUPAC International Chemical Identifier
Liens du projet
Commandes et alias
- inchi-1
- inchi_main
historique
Historique du projet et usages
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.
Historique du projet
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.
Historique d'adoption
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.
Modes d'utilisation
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.
Pourquoi les passionnés de paquets s'y intéressent
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.
Chronologie
- 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.
Sources
- 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
posture de sécurité
Niveau de risque : vert
narrow executable package without higher-risk signals.
Classificateur de risque
risque vert · confiance faible · appliance
Pourquoi
- narrow executable package without higher-risk signals
Signaux
- metadata:no-higher-risk-signals
Comportement d'installation
- Aucun hook post-install Homebrew n’est enregistré dans les métadonnées de formule.
- Les métadonnées de bottle Homebrew sont disponibles pour 6 plateformes.
- Les métadonnées de compilation listent 1 dépendances de compilation.
Revue recommandée
Avant une utilisation sans surveillance par un agent, vérifiez si l'outil lit des identifiants en clair, écrit un état distant, publie des artefacts ou lance des plugins.
exécutables
Exécutables installés
| Commande | Type | Exposition | Note |
|---|---|---|---|
inchi-1 | cli | exécutable global | |
inchi_main | cli | exécutable global |
fraîcheur
Version et fraîcheur
Ces signaux séparent l'âge de génération de la page, l'activité du gestionnaire de paquets et la comparaison avec les versions amont. Un retard de version n'est signalé que lorsqu'une URL de preuve et des versions comparables sont présentes.
page générée2026-07-10
version du gestionnaire1.07.5
gestionnaire mis à jour
données localesOK
amontà jour
dernière version détectéev1.07.5
https://github.com/IUPAC-InChI/InChI
- infoNo package-manager update timestamp was available.confiance faible
métadonnées d'installation
Métadonnées du paquet
| Clé du paquet | brew:inchi |
|---|---|
| Version | 1.07.5 |
| Gestionnaire de paquets | Homebrew |
| Page du gestionnaire de paquets | https://formulae.brew.sh/formula/inchi |
| Page d'accueil | https://www.inchi-trust.org/ |
| Dépôt | https://github.com/IUPAC-InChI/InChI |
| Docs amont | https://inchi-trust.info/wp/downloads |
| Licence | MIT |
| Archive source | https://github.com/IUPAC-InChI/InChI/archive/refs/tags/v1.07.5.tar.gz |
| Dépendances de compilation | cmake |
| Bouteille | disponible (sur arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| post-install Homebrew | non défini |
| Service | aucun déclaré |
faits du registre
Détails de la base source
| 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 |
|
correspondances dans les bases sources
Autres enregistrements de gestionnaires de paquets
Les correspondances proviennent d’index externes de gestionnaires de paquets et restent séparées des liens de paquets Automic Vault locaux.
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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : Inchi
Nix95%
inchi
nix profile install nixpkgs#inchi- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- 1 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- 1 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- 1 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- 2 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- normalized package name match
- Correspondance par : 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 Dépendances
- 1 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- 1 fournit
- normalized package name match
- Correspondance par : 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 fournit
- normalized package name match
- Correspondance par : 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 Dépendances
- 2 fournit
- normalized package name match
- Correspondance par : Inchi
piste source
Généré depuis les données du dépôt
Cette page est servie par av-web depuis l'artéfact SQLite privé des paquets généré par scripts/generate-pkg-sqlite.py.
Combined YAML source
View the package source record on GitHub.
Sources utilisées
- 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