rdkit
Install command:
brew install rdkitOpen-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:
| Apple Silicon | sonoma | ✅ |
|---|---|---|
| ventura | ✅ | |
| monterey | ✅ | |
| Intel | sonoma | ✅ |
| ventura | ✅ | |
| monterey | ✅ | |
| 64-bit linux | ✅ | |
Current versions:
| stable | ✅ | 2024.03.5 |
| head | ⚡️ | HEAD |
Depends on:
| boost | 1.85.0 | Collection of portable C++ source libraries |
| boost-python3 | 1.85.0 | C++ library for C++/Python3 interoperability |
| cairo | 1.18.0 | Vector graphics library with cross-device output support |
| eigen | 3.4.0 | C++ template library for linear algebra |
| freetype | 2.13.2 | Software library to render fonts |
| numpy | 2.0.1 | Package for scientific computing with Python |
| postgresql@14 | 14.12 | Object-relational database system |
| py3cairo | 1.26.1 | Python 3 bindings for the Cairo graphics library |
| python@3.12 | 3.12.4 | Interpreted, interactive, object-oriented programming language |
Depends on when building from source:
| catch2 | 3.6.0 | Modern, C++-native, header-only, test framework |
| cmake | 3.30.1 | Cross-platform make |
| pkg-config | 0.29.2 | Manage compile and link flags for libraries |
| swig | 4.2.1 | 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:
| Installs (30 days) | |
|---|---|
rdkit |
374 |
rdkit --HEAD |
1 |
| Installs on Request (30 days) | |
rdkit |
300 |
rdkit --HEAD |
1 |
| Build Errors (30 days) | |
rdkit |
2 |
| Installs (90 days) | |
rdkit |
1,105 |
rdkit --HEAD |
2 |
| Installs on Request (90 days) | |
rdkit |
898 |
rdkit --HEAD |
2 |
| Installs (365 days) | |
rdkit |
4,271 |
rdkit --HEAD |
12 |
| Installs on Request (365 days) | |
rdkit |
3,691 |
rdkit --HEAD |
12 |
