This repo contains data files and code used for tutorial MD00 at the MRS spring meeting 2023.
☆13Mar 11, 2025Updated last year
Alternatives and similar repositories for mrs_spring_tutorial
Users that are interested in mrs_spring_tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A multipurpose Fortran2003+MPI suite of codes for the simulation of spin dynamics at the atomistic level. The code is developed to readil…☆13Jul 16, 2025Updated last year
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆14Feb 13, 2024Updated 2 years ago
- ☆34Feb 17, 2022Updated 4 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆52Updated this week
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- 致力于AI for science的交叉学科融合。☆11Aug 18, 2024Updated 2 years ago
- ☆16Apr 8, 2023Updated 3 years ago
- ☆15Sep 28, 2026Updated last week
- Atom-by-atom design of metal oxide catalysts for the oxygen evolution reaction with Machine Learning☆13Oct 19, 2023Updated 2 years ago
- A NOMAD plugin containing base sections for material processing.☆12Sep 8, 2026Updated last month
- ☆18Oct 25, 2022Updated 3 years ago
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆18Aug 20, 2022Updated 4 years ago
- Depiction of Potential Energy Surfaces☆15May 7, 2024Updated 2 years ago
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- BERTOS: transformer for oxidation state prediction☆16Aug 21, 2026Updated last month
- The ELN custom schemas from synthesis experiments☆11Aug 5, 2025Updated last year
- ☆23Dec 10, 2024Updated last year
- Bayes for anything!☆18Oct 2, 2023Updated 3 years ago
- Electron Transport (ELECTRA), open source code from the "GENESIS" project☆13Dec 3, 2025Updated 10 months ago
- ☆16Mar 2, 2023Updated 3 years ago
- Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023☆25Jul 14, 2023Updated 3 years ago
- Slab graph convolutional neural networks for predicting surface-related material properties☆18Oct 6, 2020Updated 6 years ago
- A graph database tool for experimental data in materials science and chemistry.☆20Jan 7, 2025Updated last year
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆25Updated this week
- ☆11Mar 3, 2024Updated 2 years ago
- A NOMAD plugin containing base sections for measurements.☆15Sep 4, 2026Updated last month
- Multi-layer perceptron model for photo-voltaic material properties prediction.☆26Dec 8, 2022Updated 3 years ago
- ☆24Sep 9, 2026Updated last month
- FDMNES☆11Jan 28, 2021Updated 5 years ago
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- Convert Gaussian optimization output (.log) file to xyz or gjf file☆16Nov 30, 2017Updated 8 years ago
- A test suite for the VASP electronic structure code☆39Jan 23, 2014Updated 12 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Computational experiments using SMACT for materials design☆11Jul 3, 2020Updated 6 years ago
- ☆15Feb 17, 2025Updated last year
- Physics informed Bayesian network + autoencoder for matching process / variable / performance in solar cells.☆33Aug 18, 2021Updated 5 years ago
- Interactive exercises for Solid State Physics course at Aalto University (2024)☆40Mar 22, 2025Updated last year
- The only Bash-to-python transpiler you will ever need!☆38May 20, 2026Updated 4 months ago
- flexible materials modeling and lab automation☆20Feb 20, 2026Updated 7 months ago
- Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…☆16Dec 24, 2025Updated 9 months ago