Brian Kelley's repositories
descriptastorus
Descriptor computation(chemistry) and (optional) storage for machine learning
rdkit-csharp
Build scripts for csharp release of the RDKit
cnn-xtensor
Port of a CNN to tensor for testing purposes
conda-build
Commands and tools for building conda packages
conda-press
Press conda packages into wheels
conda-rdkit
Conda build recipe for the rdkit
homebrew-core
🍻 Default formulae for the missing package manager for macOS
homebrew-rdkit
Homebrew formula for rdkit
KinFragLib
Kinase-focused fragment library
kyotocabinet-feedstock
A conda-smithy repository for kyotocabinet.
rd_filters
A script to run structural alerts using the RDKit and ChEMBL
sketcher
Schrödinger 2D Sketcher
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