rdkit

Install command: 
brew install rdkit

Open-source chemoinformatics library

https://rdkit.org/

License: BSD-3-Clause

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

Formula code: rdkit.rb on GitHub

Bottle (binary package) installation support provided for:

Intel ventura ✅
monterey ✅
big sur ✅
64-bit linux ✅
Apple Silicon ventura ✅
monterey ✅
big sur ✅

Current versions:

stable ✅ 2022.09.5
head ⚡️ HEAD

Depends on:

boost 1.81.0 Collection of portable C++ source libraries
boost-python3 1.81.0 C++ library for C++/Python3 interoperability
eigen 3.4.0 C++ template library for linear algebra
freetype 2.13.0 Software library to render fonts
numpy 1.24.2 Package for scientific computing with Python
postgresql@14 14.7 Object-relational database system
py3cairo 1.23.0 Python 3 bindings for the Cairo graphics library
python@3.11 3.11.2 Interpreted, interactive, object-oriented programming language

Depends on when building from source:

cmake 3.26.1 Cross-platform make
swig 4.1.1 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 $HOME/.bashrc:
    export RDBASE=$HOMEBREW_PREFIX/opt/rdkit/share/RDKit

Analytics (macOS):

Installs (30 days)
rdkit 4
Installs on Request (30 days)
rdkit 3
Build Errors (30 days)
rdkit 0
Installs (90 days)
rdkit 728
rdkit --HEAD 7
Installs on Request (90 days)
rdkit 431
rdkit --HEAD 7
Installs (365 days)
rdkit 4,641
rdkit --HEAD 22
Installs on Request (365 days)
rdkit 2,630
rdkit --HEAD 22

Analytics (Linux):

Installs (30 days)
rdkit 0
Installs on Request (30 days)
rdkit 0
Build Errors (30 days)
rdkit 0
Installs (90 days)
rdkit 11
Installs on Request (90 days)
rdkit 8
Installs (365 days)
rdkit 81
rdkit --HEAD 1
Installs on Request (365 days)
rdkit 29
rdkit --HEAD 1
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