markahix Goto Github PK
Type: User
markahix's Projects
alphafold2docker
Simplified version of ColabFold, stuffed into a Docker container and given a web UI. Not fancy, just easy.
blendermolecularorbitals
chemblender
chromogen
A reinforcement learning approach to generating novel chromophores with desired properties.
codingsummerschool
compchemutilities
dev-lichem
Group development repo for LICHEM.
flaskapplicationbase
Provides a basic framework for building Flask applications, building a Docker image, and deploying a production server with uWSGI.
latex_templates
Collection of LaTeX templates for various academic journals.
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.
ml_ready_csvs
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.
solventmixtures
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