- There are no registered releases for the rdkit ⇒ trunk. ... The following unsupported and untrusted Personal Archives (PPAs) provide packages of 'rdkit'
- License. Language. Rdkit. 2,323. ... The official sources for the RDKit library. dependent packages 21 total releases 43 most recent commit 6 months ago.
- conflicts=('rdkit-python2' 'rdkit-git') provides=(rdkit). build() { cd ${srcdir}/${pkgname}-Release_${pkgver} mkdir -p build cd build. cmake .. \
- The idea is simple: Create an rdkit mol object from SMILES string, iterate over the atoms, and set the desired property to a custom value.
- We will transfer it to RDKit repo in coming months. RDKitjs. Port of RDKit to JavaScript using emscripten and WebAssembly. Installation. npm install rdkit.
- Many descriptor calculation methods are provided in rdkit, which can be used for molecular screening, druggability evaluation, etc.
- There is a new, and greatly improved, version of the RDKit Cookbook (#2884). There is a new version (v3) of the ETKDG conformer generator along with optional...
- I am trying to get rdkit working on my Windows 7 system with Anaconda and Python 2.7.
- Explore and run machine learning code with Kaggle Notebooks | Using data from multiple data sources...
- RDKit is a collection of cheminformatics and machine-learning software written in C++ and Python. BSD license - a business friendly license for open source.