Examples for use in teaching HPSC workflows, from how to successfully parallelize code, to how to submit that code on an HPC system.
☆38Dec 20, 2024Updated last year
Alternatives and similar repositories for teaching-examples
Users that are interested in teaching-examples are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MARIO: Multiscale Aerodynamic Resolution Invariant Operator. 3rd Place at the ML4CFD Challenge at Neurips 2024.☆18Oct 8, 2025Updated 6 months ago
- Decaying homogeneous isotropic turbulence simulated with WaterLily☆10Mar 31, 2026Updated 3 weeks ago
- Calculate Lagrangian Coherent Structures (LCS) from time dependent flows.☆10Mar 16, 2021Updated 5 years ago
- Simple python notifier (also known as emitter or dispatcher).☆10Nov 2, 2022Updated 3 years ago
- Python utilities for submitting jobs on high performance computing systems☆12Feb 23, 2026Updated 2 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Automated reaction discovery and dataset generation with the growing string method☆22Feb 6, 2020Updated 6 years ago
- ☆12Oct 8, 2020Updated 5 years ago
- ☆10Jan 25, 2022Updated 4 years ago
- Medium fidelity aircraft-propulsion system design and optimization.☆42Apr 14, 2026Updated 2 weeks ago
- Parallel tridiagonal matrix solver using cyclic reduction / parallel cyclic reduction algorithm in c++☆13Oct 23, 2020Updated 5 years ago
- Example repo for uploading reports to Codecov☆23Apr 20, 2026Updated last week
- Reaction Data and Molecular Conformers (RDMC) is a package dealing with reactions, molecules, conformers, majorly in 3D.☆31Apr 9, 2025Updated last year
- ☆11Nov 20, 2024Updated last year
- Implementation of MOFF force field. Please cite us at Latham, A; Zhang, B J. Chem. Theory Comput. 2021, 17, 3134. (https://pubs.acs.org/d…☆10Jun 16, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Display PackedPose objects, Pose objects, or PDB files within a Jupyter notebook and Google Colab☆11Oct 16, 2022Updated 3 years ago
- Theme based on material design for pelican static blog generator☆12Feb 4, 2016Updated 10 years ago
- Building more accurate protein structures from backbone torsion angles☆15Mar 21, 2025Updated last year
- Findings of ACL 2021☆24May 8, 2021Updated 4 years ago
- ☆11Jan 3, 2025Updated last year
- A reinforcement learning library for material and molecule optimization☆32Apr 4, 2024Updated 2 years ago
- Pre-trained models for our work on Temporal Graph Generation☆19Jun 2, 2021Updated 4 years ago
- A python script to convert and down-sample mesh data into pointclouds using FPS algorithm.☆18Aug 11, 2021Updated 4 years ago
- ☆15Jan 27, 2025Updated last year
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Program to determine the symmetry point group of a molecule (doesn't work with cubic groups).☆14May 18, 2018Updated 7 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 2 months ago
- A graphql client to get your subscriptions through tough firewalls and unreliable mobile networks☆14Sep 4, 2025Updated 7 months ago
- 🚗 Exploring Generative 3D shapes using Autoencoder Networks☆14Updated this week
- Implementation of "Denoise Pretraining on Non-equilibrium Molecular Conformations for Accurate and Transferable Neural Potentials" in PyT…☆14Jul 26, 2023Updated 2 years ago
- ☆15Apr 30, 2025Updated 11 months ago
- Angular Wrapper for Trello API☆11Apr 23, 2016Updated 10 years ago
- ☆13Apr 8, 2025Updated last year
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Simple web application for prediction of reaction rate constant through machine learning models using molecular fingerprints.☆14Oct 4, 2021Updated 4 years ago
- Yet another react component to render markdown.☆16May 28, 2017Updated 8 years ago
- Highly interactive, thread-parallel Lattice Boltzmann CFD solver☆21Apr 29, 2019Updated 7 years ago
- A Python library for benchmarking uncertainty estimation and quantification methods for Machine Learning models predictions.☆44Updated this week
- infinite Gaussian Mixture Model(Dirichlet Process Gaussian Mixture Model) by gibbs sampling. Multivaraite Gaussian with full covariance a…☆14Feb 23, 2019Updated 7 years ago
- Jupyter Notebooks for AE6310: Optimization for the Design of Engineering Systems☆17Apr 3, 2026Updated 3 weeks ago
- a path to discover Modern Fortran, a poor, informal talk for newbies Fortraners☆19Dec 13, 2018Updated 7 years ago