rdkit

Install command:
brew install rdkit

Open-source chemoinformatics library

https://rdkit.org/

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
catalina
mojave
64-bit linux
Apple Silicon big sur

Current versions:

stable 2021.03.4
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 3.3.9 C++ template library for linear algebra
freetype 2.11.0 Software library to render fonts
numpy 1.21.1 Package for scientific computing with Python
postgresql 13.3 Object-relational database system
py3cairo 1.20.1 Python 3 bindings for the Cairo graphics library
python@3.9 3.9.6 Interpreted, interactive, object-oriented programming language

Depends on when building from source:

cmake 3.21.0 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

Analytics:

Installs (30 days)
rdkit 142
rdkit --HEAD 9
Installs on Request (30 days)
rdkit 142
rdkit --HEAD 9
Build Errors (30 days)
rdkit --HEAD 3
Installs (90 days)
rdkit 528
rdkit --HEAD 22
Installs on Request (90 days)
rdkit 527
rdkit --HEAD 22
Installs (365 days)
rdkit 905
rdkit --HEAD 38
rdkit --with-inchi --with-python3 7
Installs on Request (365 days)
rdkit 901
rdkit --HEAD 38
rdkit --with-inchi --with-python3 7
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