CGRtools
Toolkit for processing molecules, reactions and condensed graphs of reactions. Can be used for chemical standardization, MCS search, tautomers generation with backward compatibility to RDKit and NetworkX.
- Repository
- github.com/cimm-kzn/cgrtools
Source attribution
- Awesome Cheminformatics — github.com/cimm-kzn/cgrtools
Related resources
Universal molecular toolkit that can be used for molecular fingerprinting, substructure search, and molecular visualization written in C++ package, with Java, C#, and Python wrappers.
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Dans-PersonalityEngine-V1.3.0-24b Dans-PersonalityEngine-V1.3.0-24b ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⠀⢀⠀⠄⠀⡂⠀⠁⡄⢀⠁⢀⣈⡄⠌⠐⠠⠤⠄⡀⠀⠀⠀⠀⠀⠀⠀⠀⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⡄⠆⠀⢠⠀⠛⣸⣄⣶⣾⡷⡾⠘⠃⢀⠀⣴⠀⡄⠰⢆⣠⠘⠰⠀⡀⠀⠀⠀⠀⠀ ⠀⠀⠀⠀⠀⠀⠀⠀⠀⠃⠀⡋⢀⣤⡿⠟⠋⠁⠀⡠⠤⢇⠋⠀⠈⠃⢀⠀⠈⡡⠤⠀⠀⠁⢄⠀⠀⠀⠀ ⠀⠀⠀⠀⠀⠁⡂⠀⠀⣀⣔⣧⠟⠋⠀⢀⡄⠀⠪⣀⡂⢁⠛⢆⠀⠀⠀⢎⢀⠄⢡⠢⠛⠠⡀⠀⠄⠀⠀ ⠀⠀⡀⠡⢑⠌⠈⣧⣮⢾⢏⠁⠀⠀⡀⠠⠦⠈⠀⠞⠑⠁⠀⠀⢧⡄⠈⡜⠷⠒⢸⡇⠐⠇⠿⠈⣖⠂⠀…
Using llama.cpp release b5466 for quantization.