macOS
Homebrewverified · 100%
brew install rdkitlocal Homebrew formula metadata
MacPortsverified · 94%
sudo port install rdkitMacPorts ports tree · science/rdkit/Portfile · source: api.github.com
brew
Install rdkit with Homebrew, apt, MacPorts, pacman
Nucleus package metadata for rdkit, from local Automic Vault package sources. Version 2026.03.3 via Homebrew; verified from local package data.
install
Additional install commands
Linux
Debian aptverified · 92%
sudo apt install librdkit-devDebian stable package indexes · librdkit-dev · source: deb.debian.org
Arch Linux pacmanverified · 92%
sudo pacman -S rdkitArch Linux sync databases · rdkit · source: geo.mirror.pkgbuild.com
overview
Package summary
Nucleus package metadata for rdkit, from local Automic Vault package sources.
Project links
Commands and aliases
No executable aliases were found in the local package database.
security posture
No protected-tool coverage found yet
No matching local secret-handling manifest was found for rdkit. Nucleus package metadata is still published here so future coverage has a stable package URL.
Install behavior
- No Homebrew post-install hook is recorded in formula metadata.
- Homebrew bottle metadata is available for 6 platform targets.
- Installs with 11 runtime dependencies.
- Build metadata lists 5 build dependencies.
Recommended review
Before unattended agent use, check whether the tool reads plaintext credentials, writes remote state, publishes artifacts, or shells out to plugins.
executables
Installed executables
| Command | Kind | Exposure | Note |
|---|---|---|---|
| No executable data was present. | |||
freshness
Version and freshness
These signals separate page generation age, package-manager activity, and upstream release comparison. Version lag is warned only when an evidence URL and comparable versions are present.
page generated2026-07-08
manager version2026.03.3
manager updated
local dataok
upstreamnot checked
latest detectednot detected
https://github.com/rdkit/rdkit
- infoNo package-manager update timestamp was available.low confidence
- infoNo cached GitHub release or tag data was available.https://github.com/rdkit/rdkitnone confidence
install metadata
Package metadata
| Package key | brew:rdkit |
|---|---|
| Version | 2026.03.3 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/rdkit |
| Homepage | https://rdkit.org/ |
| Repository | https://github.com/rdkit/rdkit |
| Upstream docs | https://rdkit.org/ |
| License | BSD-3-Clause |
| Source archive | https://github.com/rdkit/rdkit/archive/refs/tags/Release_2026_03_3.tar.gz |
| Dependencies | boost, boost-python3, cairo, coordgen, eigen, freetype, inchi, maeparser, numpy, py3cairo, python@3.14 |
| Build dependencies | catch2, cmake, pkgconf, postgresql@17, postgresql@18 |
| Bottle | available (on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
| Caveats | You may need to add RDBASE to your environment variables, e.g. export RDBASE="\$HOMEBREW_PREFIX/opt/rdkit/share/RDKit" |
registry facts
Source database details
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | rdkit |
| Version Scheme | 0 |
| Revision | 0 |
| Head Version | HEAD |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
source database matches
Other package-manager records
Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.
Debian apt95%
librdkit-dev 202503.1-4
Collection of cheminformatics and machine-learning software (development files)
sudo apt install librdkit-dev- Section: libdevel
- Architecture: amd64
- Source Package: rdkit
- 1 dependencies
- normalized package name match
- Matched by: Rdkit
Debian apt95%
librdkit1t64 202503.1-4
Collection of cheminformatics and machine-learning software (shared libraries)
sudo apt install librdkit1t64- Section: libs
- Architecture: amd64
- Source Package: rdkit
- 12 dependencies
- 1 provides
- normalized package name match
- Matched by: Rdkit
Debian apt95%
postgresql-17-rdkit 202503.1-4
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
sudo apt install postgresql-17-rdkit- Section: database
- Architecture: amd64
- Source Package: rdkit
- 5 dependencies
- normalized package name match
- Matched by: Rdkit
Debian apt95%
python3-rdkit 202503.1-4
Collection of cheminformatics and machine-learning software
sudo apt install python3-rdkit- Section: python
- Architecture: amd64
- Source Package: rdkit
- 16 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Rdkit
Debian apt95%
rdkit-data 202503.1-4
Collection of cheminformatics and machine-learning software (data files)
sudo apt install rdkit-data- Section: science
- Architecture: all
- Source Package: rdkit
- normalized package name match
- Matched by: Rdkit
Debian apt95%
rdkit-doc 202503.1-4
Collection of cheminformatics and machine-learning software (documentation)
sudo apt install rdkit-doc- Section: doc
- Architecture: all
- Source Package: rdkit
- 2 dependencies
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
librdkit-dev 202309.3-3build2
Collection of cheminformatics and machine-learning software (development files)
sudo apt install librdkit-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: rdkit
- 1 dependencies
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
librdkit1 202309.3-3build2
Collection of cheminformatics and machine-learning software (shared libraries)
sudo apt install librdkit1- Section: universe/libs
- Architecture: amd64
- Source Package: rdkit
- 12 dependencies
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
postgresql-16-rdkit 202309.3-3build2
Cheminformatics and machine-learning software (PostgreSQL Cartridge)
sudo apt install postgresql-16-rdkit- Section: universe/database
- Architecture: amd64
- Source Package: rdkit
- 5 dependencies
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
python3-rdkit 202309.3-3build2
Collection of cheminformatics and machine-learning software
sudo apt install python3-rdkit- Section: universe/python
- Architecture: amd64
- Source Package: rdkit
- 15 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
rdkit-data 202309.3-3build2
Collection of cheminformatics and machine-learning software (data files)
sudo apt install rdkit-data- Section: universe/science
- Architecture: all
- Source Package: rdkit
- normalized package name match
- Matched by: Rdkit
Ubuntu apt95%
rdkit-doc 202309.3-3build2
Collection of cheminformatics and machine-learning software (documentation)
sudo apt install rdkit-doc- Section: universe/doc
- Architecture: all
- Source Package: rdkit
- 2 dependencies
- normalized package name match
- Matched by: Rdkit
pacman95%
rdkit 2026.03.3-1
Open-source toolkit for cheminformatics
https://github.com/rdkit/rdkit
sudo pacman -S rdkit- License: BSD-3-Clause
- Architecture: x86_64
- 12 dependencies
- normalized package name match
- Matched by: Rdkit
MacPorts95%
rdkit
sudo port install rdkit- normalized package name match
- Matched by: Rdkit
source trail
Generated from repository data
This page is generated by av-web from the private package SQLite artifact built by scripts/generate-pkg-sqlite.py.
Used sources
- cross-ecosystem install command graph
- external package-manager database matches
- package relationship graph
- package version freshness
- package-page enrichment