Sebastian Dick's Projects
C++ implementation of SCF
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Diffusion maps applied to crystal defect data
A modular framework for neural networks with Euclidean symmetry
exact diagonalization routines for the 1-d Ising model (and other Hamiltonians)
Libary to create atom-centered fingerprints from electron densities
Cheatsheet for error calculation and propagation. Created as a reference for undergraduate lab.
repository to fit electron densities with gaussians
A parser for arxiv.org astro-ph that will find a list of papers matching keywords and either e-mail it or post it to Slack
A library for using machine-learned exchange-correlation functionals for density-functional theory
MB-pol calculator for the Atomic Simulation Environment (ASE)
mbpol is a plugin for the OpenMM toolkit for molecular simulations using the MB-pol, a many-body potential for water.
combines all mlcf respositories
A sample repo for the MolSSI bootcamp 2019
A sample repo for the 2019 MolSSI Software Fellow Bootcamp
Implementation of a machine learned density functional
Explore arXiv articles and get recommendations based on your research interests
Add quick entries to my Notion databases
Ray + pydantic + networkx = Type validated DAG workflows
Saturation Spectroscopy Experiment on Rubidium