Pinned Repositories
atomlite
Store your chemical data in a single file!
cage_prediction
chem_tools
A collection of tools for dealing with molecules.
mol-draw
A lightweight, 3D molecular viewer for JavaScript and PureScript applications.
moldoc
Make better chemistry documentation!
stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
stk-vis
A cross-platform application for visualization of molecular databases.
vabene
Make valid molecular graphs!
xecs
A Python library (written in Rust!) for a performant entity component system (ECS).
FLOUR
Really fast chemical file reading and writing. Usable from Python, written in Rust.
lukasturcani's Repositories
lukasturcani/stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
lukasturcani/vabene
Make valid molecular graphs!
lukasturcani/moldoc
Make better chemistry documentation!
lukasturcani/atomlite
Store your chemical data in a single file!
lukasturcani/unload
lukasturcani/cagey
lukasturcani/python-template
lukasturcani/advent
lukasturcani/aitomic
Make AI in chemistry simple!
lukasturcani/appa
lukasturcani/AstroNvim
lukasturcani/atomlite-rs
lukasturcani/atomlite-server
Use AtomLite over the network!
lukasturcani/bff
lukasturcani/data-management-workshop
lukasturcani/dioxus-focus-issue
lukasturcani/dioxus-future-issue
lukasturcani/dioxus-sdk
A library to provide abstractions to access common utilities when developing Dioxus applications.
lukasturcani/dioxus-translation-issue
lukasturcani/dioxus_tests
lukasturcani/hydration-test
lukasturcani/lox
lukasturcani/nomad-server
Server side code for NOMAD system
lukasturcani/observer
lukasturcani/OMLT
Represent trained machine learning models as Pyomo optimization formulations
lukasturcani/queries
lukasturcani/robots
lukasturcani/sana
Spectral Analysis
lukasturcani/stko
A collection of molecular optimisers and property calculators for use with stk.
lukasturcani/thelab