2nd generation of the Deep Potential GENerator
☆43Sep 21, 2026Updated 2 weeks ago
Alternatives and similar repositories for dpgen2
Users that are interested in dpgen2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish☆62Updated this week
- DeePMD-kit plugin for various graph neural network models☆56Sep 28, 2026Updated last week
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆83Jan 21, 2026Updated 8 months ago
- Reinforced dynamics☆53Mar 31, 2025Updated last year
- An interactive viewer☆14Jun 17, 2020Updated 6 years ago
- 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.
- a package for developing machine learning-based chemically accurate energy and density functional models☆120Apr 28, 2025Updated last year
- We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response (>320 …☆10Aug 28, 2024Updated 2 years ago
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆400Sep 17, 2026Updated 3 weeks ago
- A Python package for manipulating atomistic data of software in computational science☆254Sep 28, 2026Updated last week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆53Sep 27, 2026Updated last week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆72Jul 25, 2026Updated 2 months ago
- Tutorials for DeepModeling projects.☆18Mar 11, 2026Updated 6 months ago
- DeepModeling community content☆98Dec 25, 2025Updated 9 months ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆294Updated this week
- 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.
- MCP tools to connect LLMs and ABACUS jobs☆29Apr 7, 2026Updated 6 months ago
- Fine-tuning and distillation workflow for pretrained atomic potentials☆42Jul 15, 2026Updated 2 months ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆103Sep 28, 2026Updated last week
- ☆17Feb 26, 2026Updated 7 months ago
- A benchmark for Large Atomistic Models☆20Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆159Jun 27, 2024Updated 2 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆17Sep 11, 2026Updated 3 weeks ago
- A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.☆99Aug 16, 2026Updated last month
- A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)☆15Sep 21, 2022Updated 4 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.
- APEX: Alloy Properties EXplorer using simulations☆48Jul 27, 2026Updated 2 months ago
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆44Sep 28, 2026Updated last week
- A deep learning package for many-body potential energy representation and molecular dynamics☆2,054Updated this week
- Deep Potential Evolution Accelerator☆37Sep 19, 2026Updated 2 weeks ago
- CuPd cluster expansion calculations☆12Oct 27, 2016Updated 9 years ago
- Automated reaction mechanism generator and general boxed molecular dynamics package for accelerated sampling in molecular dynamics simula…☆16Jul 28, 2021Updated 5 years ago
- DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular…☆199Jul 21, 2026Updated 2 months ago
- AI-enhanced computational chemistry☆166Sep 12, 2026Updated 3 weeks ago
- Accelerating Metadynamics-Based Free-Energy Calculations with Adaptive Machine Learning Potentials☆18Jun 9, 2021Updated 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.
- ☆45Apr 13, 2026Updated 5 months ago
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆80Updated this week
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆44Updated this week
- ABACUS开源软件的中文用户文档☆52Jul 31, 2026Updated 2 months ago
- Electron-passing neural networks for charge partitioning in quantum chemistry☆10Dec 21, 2022Updated 3 years ago
- AP-Net: An atomic-pairwise neural network for smooth and transferable interaction potentials☆15Jun 30, 2020Updated 6 years ago
- ☆70Dec 9, 2024Updated last year