#chemistry

A high-performance, pure Rust toolkit for standardizing and preparing biomolecular systems (proteins & nucleic acids). It heals missing atoms, resolves protonation states, adds solvation, and unifies topologies to forge simulation-ready structures.

React component for visualizing protein structures with the Mol* framework.

rod2ik/TikZJax is mainly an Integration of tkz-tab inside TikZJax, to natively render Maths Variations Tables/Sign Tables in standalone HTML and in MkDocs Material Light/Dark Themes. It is TikZ AND tkz-tab running under WebAssembly in the browser,.

For simulating fermionic quantum systems

A high-performance, pure Rust library for full-atom protein side-chain packing using the DREIDING force field, Goldstein+Split DEE, and tree-decomposition DP—with native protein–ligand and protein–nucleic acid interface support.

Опис репозиторію не опубліковано.

Python package for fast exact clustering of similar molecular structures through parameterized connectivity graphs.

A markdown-it plugin for rendering chemical structures from SMILES notation using smilesDrawer.

Parse X-ray CIF format

A pure JavaScript implementation of the SELFIES molecular string representation

LabIMotion: Where Adaptability Meets Innovation in Scientific Solutions.

Java Server Faces UI components for chemistry and biochemistry