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Alex Moriarty's repositories

unlockNN

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

Language:PureBasicMIT22 5 19

zotenote

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

Language:TypeScriptMIT9 1 2

CaMCaNN

Critical micelle concentration prediction models with uncertainty quantification.

Language:Jupyter NotebookAGPL-3.03 20

Marlin

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

Language:C++GPL-3.03 10

FVTT-Long-Rest-HD-Healing-5e

Changes long rests in the dnd5e system to only allow hit dice

Language:JavaScriptGPL-3.02 3 7

multi-part-messages

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

Language:JavaScriptMIT1 2 1

5e-dm-helper

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

Language:TeXAGPL-3.0010

a-ws-m.github.io

Personal website: portfolio, about me and other miscellanea.

010

cgcnn

Crystal graph convolutional neural networks for predicting material properties.

Language:PythonMIT000

foam

A personal knowledge management and sharing system for VSCode

Language:TypeScriptNOASSERTION000

Foundry_Resources

A set of resources for use with Foundry VTT

Language:JavaScript000

markdown-cv

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

Language:CSSMIT000

GromacsWrapper

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

Language:PythonGPL-3.0000

MDPOW

Calculation of water/solvent partition coefficients with Gromacs.

Language:PythonGPL-3.0000

megnet

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

Language:Jupyter NotebookBSD-3-Clause000

molplotly

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

Language:PythonApache-2.0000

sharn-map

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

Language:JavaScriptAGPL-3.0010

stir

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

Language:PythonGPL-3.0000

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

Language:PythonMIT000