The official sources for the RDKit library
- cheminformatics
- c-plus-plus
- python
- rdkit
Repository Index
47,133 repositories indexed
1–5 of 5 · Most stars
An interactive book about the Riemann problem for hyperbolic PDEs, using Jupyter notebooks.
- riemann-solver
- python
- jupyter-notebook
- book
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
Quantum Insert
- quantum-insert
- python
- detection
- pcap
A implementation of Shor's algorithm written in Python calling Q# for the quantum part
- qsharp
- python3