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Achievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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Achievement: StarstruckAchievement: Arctic Code Vault ContributorAchievement: Pull Sharkx2

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  • neuralxc Public

    Implementation of a machine learned density functional

    machine-learning dft chemistry neural-networks siesta pyscf
    Python 33 10 BSD 3-Clause "New" or "Revised" License Updated Jun 17, 2024

  • 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 Updated Jul 31, 2023

  • dpyscf Public

    Jupyter Notebook Updated May 25, 2023

  • quick-notion Public

    Add quick entries to my Notion databases

    Python Updated Dec 13, 2022

  • raynx Public

    Ray + pydantic + networkx = Type validated DAG workflows

    Python 1 Updated Nov 17, 2022

  • inductive_bias Public

    Updated Oct 28, 2021

  • libnxc Public

    A library for using machine-learned exchange-correlation functionals for density-functional theory

    machine-learning dft neural-network chemistry
    C++ 16 4 Mozilla Public License 2.0 Updated Sep 18, 2021

  • docker_test Public

    Dockerfile Updated Mar 2, 2021

  • test Public

    Mozilla Public License 2.0 Updated Feb 18, 2021

  • twitter-sentiment-tracker Public

    Gain insights into cultural and economic trends by tracking twitter users' sentiments

    Python 1 GNU General Public License v3.0 Updated Feb 1, 2021

  • paper-scraper Public

    Explore arXiv articles and get recommendations based on your research interests

    research recommendation-engine arxiv graphx
    Python 7 BSD 3-Clause "New" or "Revised" License Updated Jan 7, 2021

  • tensorfield-torch Public

    Tensorfieldnetworks implemented in pytorch

    Jupyter Notebook 3 1 MIT License Updated Dec 7, 2020

  • diffusion_map Public

    Diffusion maps applied to crystal defect data

    Jupyter Notebook 1 Updated Nov 10, 2020

  • e3nn Public

    Forked from e3nn/e3nn

    A modular framework for neural networks with Euclidean symmetry

    Python MIT License Updated Aug 16, 2020

  • Coursera_Capstone Public

    Jupyter Notebook Updated Aug 4, 2020

  • mlcf Public

    combines all mlcf respositories

    Python 5 Updated Jul 29, 2020

  • 2020-software-fellow-posters Public

    Forked from MolSSI-Education/2020-software-fellow-posters
    JavaScript MIT License Updated Jun 30, 2020

  • sbu-ccmp-tools Public

    Libary of utilites to analyze the ouput of electronic structure programs

    Python 1 1 BSD 3-Clause "New" or "Revised" License Updated Jun 12, 2020

  • planets Public

    Updated Jan 21, 2020

  • 2020-01-20-stonybrook Public

    HTML 1 Other Updated Jan 9, 2020

  • shrinkschnet Public

    Machine learning model used for kaggle competition "Predicting Molecular Properties"

    Python MIT License Updated Nov 13, 2019

  • deepchem Public

    Forked from deepchem/deepchem

    Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

    Python MIT License Updated Oct 18, 2019

  • siesta_engine Public

    ASE+Siesta+ML

    Python BSD 3-Clause "New" or "Revised" License Updated Sep 19, 2019

  • tutorials Public

    Forked from mlss-2019/tutorials
    Jupyter Notebook Updated Sep 15, 2019

  • elf Public

    Libary to create atom-centered fingerprints from electron densities

    Python 1 MIT License Updated Apr 4, 2019

  • molssi_devops_2019 Public

    A sample repo for the 2019 MolSSI Software Fellow Bootcamp

    Python BSD 3-Clause "New" or "Revised" License Updated Feb 12, 2019

  • molssi_2019 Public

    A sample repo for the MolSSI bootcamp 2019

    Python BSD 3-Clause "New" or "Revised" License Updated Feb 12, 2019

  • saturationspec-rb Public

    Saturation Spectroscopy Experiment on Rubidium

    HTML GNU General Public License v3.0 Updated Dec 19, 2018

  • gauss_fit Public

    repository to fit electron densities with gaussians

    Python 1 BSD 3-Clause "New" or "Revised" License Updated Nov 27, 2018

  • mbpol_calculator Public

    MB-pol calculator for the Atomic Simulation Environment (ASE)

    Python MIT License Updated Oct 17, 2018