The official sources for the RDKit library
- cheminformatics
- c-plus-plus
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- rdkit
Repository Index
71,372 visible repositories in the index
1–11 of 11 · Most stars
Gazebo database of SDF models. This is a predecessor to https://app.gazebosim.org
- gazebo
- simulation
- robot-simulation
- robotics
Official repository for the ProteinGym benchmarks
- benchmark
- computational-biology
- protein
- protein-design
Native R and Python sample-deletion robustness for omics: candidate certificates, minimum deletion bounds, Bioconductor model refits and donor-level pseudobulk
- bioinformatics
- exact-optimization
- metabolomics
- paired-data
SolarEstimator: pvlib-based solar estimation platform with Tkinter GUI
- activator
- application
- gui
- pvlib
FastGenericNew: high-performance generic instantiation for .NET, replacing Activator.CreateInstance<
- activator
- createinstance
- csharp
- csharp-library
Type-safe dependency injection singleton wrapper with lazy init and generic constructor support
- activator
- dependency-injection
- instantiation
- lazy-loading
TranslatedAntifouling coating evidence panel: formulation sandbox, route biofouling stress, literature bounds. Simulation ≠ measurement. Live: https://simulator.jassyhong.top
- biofouling
- formulation
- antifouling
- evidence-panel
Minerva Story is an image viewer that is designed specifically to make it easy for non-expert users to interact with complex tissue images.
- minerva
- microscopy
- ome
- immunofluorescence
Simple webapp for generating small ligand conformers
- computational-biology
- computational-chemistry
- conformer-generation
- rdkit
XitoSBML - the spatial SBML plugin for ImageJ
- sbml
- systems-biology
- spatial-sbml-plugin
- imagej