brew install rdkit
Open-source chemoinformatics library
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 |