GDS-Education-Community-of-Practice / DSECOPView external linksLinks
This repository contains data science educational materials developed by DSECOP Fellows.
☆51Apr 29, 2025Updated 9 months ago
Alternatives and similar repositories for DSECOP
Users that are interested in DSECOP are comparing it to the libraries listed below
Sorting:
- ☆11Mar 3, 2024Updated last year
- DFT simulation of He atom☆13Sep 21, 2021Updated 4 years ago
- Code and lecture materials for the "Data Science for Physicists" short course held at the 2025 Joint March and April Meetings☆20Mar 31, 2025Updated 10 months ago
- Accelerating Defect Prediction in Semiconductors Using Graph Neural Networks☆15Dec 9, 2024Updated last year
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Mar 7, 2023Updated 2 years ago
- Tracking citations of atomistic simulation engines☆27Feb 8, 2026Updated last week
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆22Sep 3, 2024Updated last year
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 2 years ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Jul 21, 2022Updated 3 years ago
- Automatic search for the most stable magnetic state of a given structure☆25Updated this week
- A universal ML model to predict molecular dynamics trajectories with long time steps☆35Jan 23, 2026Updated 3 weeks ago
- Neural Error Mitigation of Near-Term Quantum Simulations (arXiv:2105.08086)☆10Jul 6, 2022Updated 3 years ago
- Continual Resilient (CoRe) Optimizer for PyTorch☆11Jun 10, 2024Updated last year
- Materials Science Scripts☆13Aug 28, 2025Updated 5 months ago
- A framework for performing active learning for training machine-learned interatomic potentials.☆39Nov 10, 2025Updated 3 months ago
- Galaxy morphological parameter estimation☆13Apr 17, 2025Updated 10 months ago
- Prometheus exporter for Amazon Smart Air Quality Monitor☆12Jan 21, 2022Updated 4 years ago
- ☆14Jul 13, 2025Updated 7 months ago
- Tutorial files to work with ML for the charge density in molecules and solids☆12Feb 22, 2023Updated 2 years ago
- Suite for Analysis of Molecular Simulations☆11Aug 28, 2025Updated 5 months ago
- Tool to convert '.com' Gaussian files into files supported by 3D rendering programs, such as Blender, Maya, and others.☆13Jan 15, 2026Updated last month
- Simple path integral Monte Carlo☆10Jan 3, 2017Updated 9 years ago
- Quantum Algorithms and Quantum Error Correction codes.☆11Feb 14, 2024Updated 2 years ago
- This notebook is related to the paper: Machine learning in physics: a short guide, to appear on Europhysics Letters (EPL).☆11Jul 16, 2024Updated last year
- ☆10Mar 29, 2023Updated 2 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Updated this week
- AI model for making mazes that extends OpenAIs GPT2 model☆15Dec 21, 2023Updated 2 years ago
- DFTB parameter optimization tools☆12Oct 5, 2023Updated 2 years ago
- Tight Binding Machine Learning Toolkit☆45Dec 2, 2025Updated 2 months ago
- Machine Learning Interatomic Potential Predictions☆94Feb 15, 2024Updated 2 years ago
- An adaptive/incremental kNN and Range Search query implementation in Julia☆11May 6, 2023Updated 2 years ago
- ☆12May 30, 2024Updated last year
- ☆15Nov 29, 2023Updated 2 years ago
- Simple finite element examples as in 3D7☆10Jul 8, 2024Updated last year
- reveal.js template slides and custom themes☆10Feb 15, 2016Updated 10 years ago
- Implementation of progressive meshes by Hugues Hoppe☆13Jul 14, 2019Updated 6 years ago
- ☆10Jun 11, 2025Updated 8 months ago
- The official code respository for "Rethinking the role of frames for SE(3)-invariant crystal structure modeling" (ICLR 2025)☆13Oct 16, 2025Updated 4 months ago
- Allen-Cahn Equation☆15Feb 20, 2023Updated 2 years ago