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markahix's Projects

alphafold2docker icon alphafold2docker

Simplified version of ColabFold, stuffed into a Docker container and given a web UI. Not fancy, just easy.

chromogen icon chromogen

A reinforcement learning approach to generating novel chromophores with desired properties.

flaskapplicationbase icon flaskapplicationbase

Provides a basic framework for building Flask applications, building a Docker image, and deploying a production server with uWSGI.

loa icon loa

This repo is an all-in-one tool for scraping popular pre-print servers, mass downloading pdfs, and then searching through the pdfs using NLMs for relevtant data.

molden_orbital_movies icon molden_orbital_movies

Molden Orbital Movies takes a set of molden files from a QM/MM MD simulation, checks the phases of each orbital compared to the previous step, and produces a VMD input file that can be used to generate a movie of the MD trajectory with a selected orbital shown.

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