Riccardo Vianello's repositories
chemicalite
An SQLite extension for chemoinformatics applications.
django-chem
This project is no longer developed. If you are interested in usin the RDKit toolkit with django, please look at the django-rdkit project
docker-postgres-rdkit
The PostgreSQL image, just extended with the RDKit cartridge
docker-fedora-rdkit-cpp
An RDKit C++ development/runtime environment on Fedora linux
docker-fedora-rdkit-python
An RDKit Python development/runtime environment on Fedora linux
chemicalite-feedstock
A conda-smithy repository for chemicalite.
conda-forge-pinning-feedstock
A conda-smithy repository for conda-forge-pinning.
conda-rdkit-postgresql
A simple recipe for building the RDKit PostgreSQL extension as a conda package on linux and maybe osx
rdkit-build-helpers
Recipes to build RDKit artifacts (e.g., Java and C# libraries, NuGet packages) and some usage examples
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
syn-search
Optimal Drug Synthesis Condition Searching Conversational AI, using LLMs