rdkit
Install command:
brew install rdkitOpen-source chemoinformatics library
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 |
