lrodrz Goto Github PK

52predict

a card counting algorithm with machine learning integration

apollo-11

Original Apollo 11 Guidance Computer (AGC) source code for the command and lunar modules.

ase_ani

ANI-1 neural net potential with python interface (ASE)

coding-tools

Just some helpful tools for coders

contract-templates

e3nn

A modular framework for neural networks with Euclidean symmetry

eye-of-cthulhu

a machine leanring based webscraper and predictor

github-tutorial

Set up for the MolSSi MM Tools Workshop

hippynn

python library for atomistic machine learning

lrodrz

Config files for my GitHub profile.

lrodrz.github.io

The personal blog of Larry Rodriguez

minima

Minima is a one-size-fits-all Jekyll theme for writers.

phonondos_e3nn

Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"

phonondos_tutorial

Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"

pyscf

Python module for quantum chemistry

pyseqm

an interface to semi-empirical quantum chemistry methods implemented with pytorch

schnet

SchNet - a deep learning architecture for quantum chemistry

schnetpack

SchNetPack - Deep Neural Networks for Atomistic Systems

sentimentanalysis

Working off of the Sentiment Analysis section from Hands On book

si_co2ar

SI documentation for the journal article entitled, "Theoretical investigation of the vibrational structure of the Ar-CO2 complex"

stable-diffusion

A latent text-to-image diffusion model

vasp_to_xyz

How to convert POSCAR (VASP) to xyz and viceversa