-
D. E. Shaw Research
- New York, NY
- semodi.github.io
- @semodi92
-
neuralxc Public
Implementation of a machine learned density functional
-
semodi.github.io Public
Forked from mmistakes/minimal-mistakes📐 A flexible two-column Jekyll theme perfect for building personal sites, blogs, and portfolios.
HTML MIT License UpdatedJul 31, 2023 -
-
-
-
-
libnxc Public
A library for using machine-learned exchange-correlation functionals for density-functional theory
-
-
-
twitter-sentiment-tracker Public
Gain insights into cultural and economic trends by tracking twitter users' sentiments
-
paper-scraper Public
Explore arXiv articles and get recommendations based on your research interests
-
tensorfield-torch Public
Tensorfieldnetworks implemented in pytorch
-
diffusion_map Public
Diffusion maps applied to crystal defect data
-
A modular framework for neural networks with Euclidean symmetry
Python MIT License UpdatedAug 16, 2020 -
-
-
2020-software-fellow-posters Public
Forked from MolSSI-Education/2020-software-fellow-postersJavaScript MIT License UpdatedJun 30, 2020 -
sbu-ccmp-tools Public
Libary of utilites to analyze the ouput of electronic structure programs
-
-
-
shrinkschnet Public
Machine learning model used for kaggle competition "Predicting Molecular Properties"
Python MIT License UpdatedNov 13, 2019 -
deepchem Public
Forked from deepchem/deepchemDemocratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
Python MIT License UpdatedOct 18, 2019 -
siesta_engine Public
ASE+Siesta+ML
Python BSD 3-Clause "New" or "Revised" License UpdatedSep 19, 2019 -
-
elf Public
Libary to create atom-centered fingerprints from electron densities
-
molssi_devops_2019 Public
A sample repo for the 2019 MolSSI Software Fellow Bootcamp
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 12, 2019 -
molssi_2019 Public
A sample repo for the MolSSI bootcamp 2019
Python BSD 3-Clause "New" or "Revised" License UpdatedFeb 12, 2019 -
saturationspec-rb Public
Saturation Spectroscopy Experiment on Rubidium
HTML GNU General Public License v3.0 UpdatedDec 19, 2018 -
gauss_fit Public
repository to fit electron densities with gaussians
-
mbpol_calculator Public
MB-pol calculator for the Atomic Simulation Environment (ASE)
Python MIT License UpdatedOct 17, 2018