Beast code in Giters

Lukas Turcani's repositories

stk

A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.

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vabene

Make valid molecular graphs!

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atomlite

Store your chemical data in a single file!

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xecs

A Python library (written in Rust!) for a performant entity component system (ECS).

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unload

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cagey

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jucombinator

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python-template

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advent

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appa

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atomlite-rs

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atomlite-server

Use AtomLite over the network!

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basic_ea

A basic example of an stk evolutionary algorithm for molecular design.

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bff

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cage_json_extractor

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data-management-workshop

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debug_annotations

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dioxus-focus-issue

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dioxus-future-issue

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dioxus_tests

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gokay_ea

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intermediate_ea

An intermediate example of an stk evolutionary algorithm for molecular design.

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lox

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nmrglue

A module for working with NMR data in Python

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observer

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OMLT

Represent trained machine learning models as Pyomo optimization formulations

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queries

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rust-boids

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stko

A collection of molecular optimisers and property calculators for use with stk.

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xecs-pygame

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