Install command:
brew install rdkit

Open-source chemoinformatics library


License: BSD-3-Clause

/api/formula/rdkit.json (JSON API)

/api/bottle/rdkit.json (Bottle JSON API)

Formula code on GitHub

Bottle (binary package) installation support provided for macOS releases:

Intel big sur
64-bit linux
Apple Silicon big sur

Current versions:

stable 2021.09.2
head ⚡️ HEAD

Depends on:

boost 1.76.0 Collection of portable C++ source libraries
boost-python3 1.76.0 C++ library for C++/Python3 interoperability
eigen 3.4.0 C++ template library for linear algebra
freetype 2.11.0 Software library to render fonts
numpy 1.21.2 Package for scientific computing with Python
postgresql 14.0 Object-relational database system
py3cairo 1.20.1 Python 3 bindings for the Cairo graphics library
python@3.9 3.9.7 Interpreted, interactive, object-oriented programming language

Depends on when building from source:

cmake 3.21.3 Cross-platform make
swig 4.0.2 Generate scripting interfaces to C/C++ code
You may need to add RDBASE to your environment variables.
For Bash, put something like this in your $HOME/.bashrc:
    export RDBASE=$(brew --prefix)/share/RDKit


Installs (30 days)
rdkit 137
rdkit --HEAD 2
Installs on Request (30 days)
rdkit 137
rdkit --HEAD 2
Build Errors (30 days)
rdkit 0
Installs (90 days)
rdkit 454
rdkit --HEAD 9
Installs on Request (90 days)
rdkit 453
rdkit --HEAD 9
Installs (365 days)
rdkit 1,349
rdkit --HEAD 47
rdkit --with-inchi --with-python3 7
Installs on Request (365 days)
rdkit 1,344
rdkit --HEAD 47
rdkit --with-inchi --with-python3 7
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