Tutorials for DeepModeling projects.
☆17Mar 11, 2026Updated 3 months ago
Alternatives and similar repositories for tutorials
Users that are interested in tutorials are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆21Updated this week
- 高通量建立vasp模型和批量分析模型性质(High throughput VASP model and batch analysis model properties)☆13Aug 23, 2021Updated 4 years ago
- 2nd generation of the Deep Potential GENerator☆41Jun 23, 2026Updated last week
- DeepModeling community content☆95Dec 25, 2025Updated 6 months ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 6 years ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 6 years ago
- ☆12May 28, 2026Updated last month
- Extended XYZ specification and parsers☆26Jun 17, 2026Updated last week
- Python tools to handle CP2K output files☆51Jun 15, 2026Updated 2 weeks ago
- ☆11Aug 11, 2016Updated 9 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆389Updated this week
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Nov 11, 2023Updated 2 years ago
- Tutorial for the usage of the dcTMD approach and Langevin simulations employing the trypsin-benzamidine complex as example.☆11Jul 15, 2024Updated last year
- ☆23Apr 16, 2020Updated 6 years ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆13Apr 19, 2024Updated 2 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆43Jun 15, 2026Updated 2 weeks ago
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆17Jul 3, 2025Updated 11 months ago
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆197Apr 7, 2026Updated 2 months ago
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆19Updated this week
- a package for developing machine learning-based chemically accurate energy and density functional models☆118Apr 28, 2025Updated last year
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆28Nov 21, 2022Updated 3 years ago
- MACE-OFF23 models☆73Jan 29, 2025Updated last year
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- Clash文献出版 社直接代理规则☆16May 5, 2025Updated last year
- API for webbook.nist.gov☆14Aug 24, 2025Updated 10 months ago
- ☆31Aug 14, 2022Updated 3 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆24Sep 3, 2024Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 3 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆122Jun 28, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 10 months ago
- eXtended Equivairant Graph Neural Network☆17Jul 23, 2025Updated 11 months ago
- A build recipe for Multiwfn on MacOS☆48Jan 13, 2026Updated 5 months ago
- Electron Density Plotter☆40Feb 6, 2025Updated last year
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆52Jul 21, 2022Updated 3 years ago
- Files for external HyperSpy tutorial sessions hosted by NIST☆15Jul 29, 2022Updated 3 years ago
- ☆12Nov 7, 2022Updated 3 years ago