dave's Projects
Associative memory, Water mediated, Structure and Energy Model (AWSEM) protein simulation code
Summer 2020 reading group on uncertainty quantification
Free energy perturbation in LAMMPS.
:page_facing_up: My CV
This repository contains implementations and illustrative code to accompany DeepMind publications
Tool to build force field input files for molecular simulation.
Fluid simulation engine for computer graphics applications
Probabilistic time series modeling in Python
HetSeq: Distributed GPU Training on Heterogeneous Infrastructure
relevant lammps scripts and data for the publication
Public development project of the LAMMPS MD software package
This repository contains the lammps custom script to calculate the shear viscosity using the Couette flow and the Green-Kubo relationship.
Links to works on deep learning algorithms for physics problems, TUM-I15 and beyond
Provides some useful information and the LAMMPS input files to model a polymer-metal interface.
Pytorch implentation of stock prediction via LSTMs
A tensrflow 2 transformer nerual network working with time series data.
Implementation of Transformer model (originally from Attention is All You Need) applied to Time Series.
Coarse-grained molecular model of DNA (LAMMPS plugin)
Materials, issues and things for the 2018 Workshop and Hackathon