rdkit

Install command:
brew install rdkit

Open-source chemoinformatics library

https://rdkit.org/

License: BSD-3-Clause

Formula JSON API: /api/formula/rdkit.json

Bottle JSON API: /api/bottle/rdkit.json

Formula code: rdkit.rb on GitHub

Bottle (binary package) installation support provided for:

Intel monterey
big sur
catalina
64-bit linux
Apple Silicon monterey
big sur

Current versions:

stable 2022.03.2
head ⚡️ HEAD

Depends on:

boost 1.78.0 Collection of portable C++ source libraries
boost-python3 1.78.0 C++ library for C++/Python3 interoperability
eigen 3.4.0 C++ template library for linear algebra
freetype 2.12.0 Software library to render fonts
numpy 1.22.4 Package for scientific computing with Python
postgresql 14.3 Object-relational database system
py3cairo 1.21.0 Python 3 bindings for the Cairo graphics library
python@3.9 3.9.13 Interpreted, interactive, object-oriented programming language

Depends on when building from source:

catch2 2.13.9 Modern, C++-native, header-only, test framework
cmake 3.23.1 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 (macOS):

Installs (30 days)
rdkit 440
Installs on Request (30 days)
rdkit 234
Build Errors (30 days)
rdkit 0
Installs (90 days)
rdkit 1,054
rdkit --HEAD 8
Installs on Request (90 days)
rdkit 691
rdkit --HEAD 8
Installs (365 days)
rdkit 2,721
rdkit --HEAD 42
Installs on Request (365 days)
rdkit 2,359
rdkit --HEAD 42

Analytics (Linux):

Installs (30 days)
rdkit 2
Installs on Request (30 days)
rdkit 1
Build Errors (30 days)
rdkit 0
Installs (90 days)
rdkit 26
Installs on Request (90 days)
rdkit 3
Installs (365 days)
rdkit 41
rdkit --HEAD 2
Installs on Request (365 days)
rdkit 18
rdkit --HEAD 2
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