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Alex Moriarty's Projects

5e-dm-helper icon 5e-dm-helper

Quickly generate AI content and format nicely for integration with other tools.

camcann icon camcann

Critical micelle concentration prediction models with uncertainty quantification.

cgcnn icon cgcnn

Crystal graph convolutional neural networks for predicting material properties.

foam icon foam

A personal knowledge management and sharing system for VSCode

gromacswrapper icon gromacswrapper

GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2023 supported).

markdown-cv icon markdown-cv

a simple template to write your CV in a readable markdown file and use CSS to publish/print it.

marlin icon marlin

Optimized firmware for RepRap 3D printers based on the Arduino platform.

mdpow icon mdpow

Calculation of water/solvent partition coefficients with Gromacs.

megnet icon megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

molplotly icon molplotly

Add-on to plotly which show molecule images on mouseover!

multi-part-messages icon multi-part-messages

A FoundryVTT module that allows chat messages to be split into parts, which users can see one at a time.

sharn-map icon sharn-map

An interactive map of Sharn, from the Eberron fantasy campaign setting.

stir icon stir

Wrapper for a collection of tools to visualize Martini coarse-grained trajectories in PyMOL

swarm-cg icon swarm-cg

Swarm-CG: Automatic Parametrization of Bonded Terms in MARTINI-based Coarse-Grained Models of Simple to Complex Molecules via Fuzzy Self-Tuning Particle Swarm Optimization

unlocknn icon unlocknn

A Python package for adding uncertainties to neural network models of chemical systems.

zotenote icon zotenote

A VSCode extension that allows you to easily create literature notes with bibliographic information from Zotero.

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