generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
☆62Oct 5, 2026Updated this week
Alternatives and similar repositories for dpdispatcher
Users that are interested in dpdispatcher are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- 2nd generation of the Deep Potential GENerator☆43Sep 21, 2026Updated 2 weeks ago
- OpenMM plugin that implements (an)isotropic polarizable point dipoles and multipoles up to octopoles.☆12Feb 7, 2025Updated last year
- A Python package for manipulating atomistic data of software in computational science☆254Updated this week
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆400Sep 17, 2026Updated 3 weeks ago
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆84Jan 21, 2026Updated 8 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆44Updated this week
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆35Updated this week
- DeePMD-kit plugin for various graph neural network models☆56Updated this week
- Reproduce partial features of DeePMD-kit using PyTorch.☆19Dec 14, 2021Updated 4 years ago
- DeepModeling community content☆98Dec 25, 2025Updated 9 months 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
- ☆45Apr 13, 2026Updated 5 months ago
- Reinforced dynamics☆53Mar 31, 2025Updated last year
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆294Updated this week
- 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.
- Generating Deep Potential with Python☆79Updated this week
- ☆17Feb 26, 2026Updated 7 months ago
- A collection of workflows that are built with DFlow.☆11May 13, 2024Updated 2 years ago
- XMU Chenglab Wiki☆109Sep 28, 2026Updated 2 weeks ago
- a package for developing machine learning-based chemically accurate energy and density functional models☆120Apr 28, 2025Updated last year
- Virtual container environments with Singularity or Shifter☆12Jul 26, 2026Updated 2 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 3 months ago
- A package to process electrochemical results from atomistic simulations.☆17Jun 5, 2026Updated 4 months ago
- A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.☆99Aug 16, 2026Updated last month
- 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.
- Python Scripts for Bioinformatics☆15Apr 24, 2024Updated 2 years ago
- A fast, clean, and composable toolkit for molecular modeling☆49Updated this week
- A GUI program for plotting Minimal energy path on potential energy surface.☆45Jan 18, 2021Updated 5 years ago
- A command line toolkit to simplify batch tasks generation and execution.☆23Aug 6, 2026Updated 2 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆53Sep 27, 2026Updated 2 weeks ago
- eOn v2 and beyond☆19Updated this week
- A deep learning package for many-body potential energy representation and molecular dynamics☆2,055Updated this week
- Enpower ABACUS calculation, for high efficiency, for high precision. Pseudopotential and Numerical Atomic Orbital library (developing)☆13Mar 27, 2026Updated 6 months ago
- Depiction of Potential Energy Surfaces☆18Aug 23, 2026Updated last month
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Repository of TBPLaS (tight-binding package for large-scale simulation)☆19Apr 11, 2024Updated 2 years ago
- ☆26Jun 16, 2025Updated last year
- DScribe is a python package for creating machine learning descriptors for atomistic systems.☆474Apr 18, 2026Updated 5 months ago
- Scripts for Hill et al. (2022) doi:10.1093/molbev/msac085 🟣☆11Apr 28, 2023Updated 3 years ago
- A conda-smithy repository for lammps.☆10Sep 21, 2026Updated 3 weeks ago
- ☆140May 3, 2026Updated 5 months ago
- rNets: A standalone package to visualize reaction networks☆17Oct 18, 2024Updated last year