Tutorials for DeepModeling projects.
☆16Mar 11, 2026Updated last week
Alternatives and similar repositories for tutorials
Users that are interested in tutorials are comparing it to the libraries listed below
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☆40Mar 11, 2026Updated last week
- DeepModeling community content☆93Dec 25, 2025Updated 2 months ago
- Coarse-graining library that implements Force-matching☆11Aug 31, 2020Updated 5 years ago
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 5 years ago
- POST code for second order elastic constant☆45Apr 14, 2020Updated 5 years ago
- ☆12Mar 12, 2026Updated last week
- Extended XYZ specification and parsers☆24Nov 1, 2025Updated 4 months ago
- Python tools to handle CP2K output files☆48Updated this week
- ☆11Aug 11, 2016Updated 9 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆382Mar 1, 2026Updated 2 weeks ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 5 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
- Python Cp2k interface☆100Jun 7, 2022Updated 3 years ago
- 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
- ☆23Apr 16, 2020Updated 5 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆41Updated this week
- Input files for Batzner, S., Musaelian, A., Sun, L., Geiger, M., Mailoa, J. P., Kornbluth, M., ... & Kozinsky, B. (2021). E(3)-equivarian…☆16Jul 3, 2025Updated 8 months ago
- Transformer in Chemical Language Model sometimes misunderstands chirality☆12Apr 19, 2024Updated last year
- MACE-OFF23 models☆60Jan 29, 2025Updated last year
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆189Jan 15, 2026Updated 2 months ago
- 📈 Uptime monitor and status page for Suliman Sharif, powered by @upptime☆18Updated this week
- a package for developing machine learning-based chemically accurate energy and density functional models☆118Apr 28, 2025Updated 10 months ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆27Nov 21, 2022Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- Clash文献出版社直接代理规则☆15May 5, 2025Updated 10 months ago
- API for webbook.nist.gov☆13Aug 24, 2025Updated 6 months ago
- ☆29Aug 14, 2022Updated 3 years ago
- ☆23May 19, 2022Updated 3 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆23Sep 3, 2024Updated last year
- DFT-D3 interface☆12Apr 3, 2023Updated 2 years ago
- A machine learning environment for atomic-scale modeling in surface science and catalysis.☆118Jun 28, 2024Updated last year
- Document and code of python and PySCF approach XYG3 type of density functional 2nd-derivative realization☆68Aug 12, 2025Updated 7 months ago
- Electron Density Plotter☆39Feb 6, 2025Updated last year
- eXtended Equivairant Graph Neural Network☆14Jul 23, 2025Updated 7 months ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆252Updated this week
- A build recipe for Multiwfn on MacOS☆43Jan 13, 2026Updated 2 months ago
- Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022☆53Jul 21, 2022Updated 3 years ago