☆34Sep 22, 2026Updated 2 weeks ago
Alternatives and similar repositories for psij-python
Users that are interested in psij-python are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Simple HPC queuing system adapter for Python on based jinja templates to automate the submission script creation.☆35Updated this week
- ExaWorks SDK☆11Feb 1, 2024Updated 2 years ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- A Pymatgen IO module for setting up OpenMM simulations.☆11Mar 15, 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.
- jobflow-remote is a Python package to run jobflow workflows on remote resources.☆42Updated this week
- This git repository will serve as a companion to a forthcoming chapter in "Quantum Chemistry in the Age of Machine Learning"☆14Jul 22, 2024Updated 2 years ago
- This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational …☆18Jun 5, 2023Updated 3 years ago
- Equitrain: A Unified Framework for Training and Fine-tuning Machine Learning Interatomic Potentials☆29Aug 28, 2026Updated last month
- ☆12Sep 21, 2026Updated 2 weeks ago
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- RADICAL-Pilot☆64May 25, 2026Updated 4 months ago
- A lightweight and extensible framework for execution scripts written in YAML.☆17Sep 1, 2026Updated last month
- Globus Compute: High Performance Function Serving for Science☆162Updated 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.
- eOn v2 and beyond☆19Updated this week
- Automation software for calculating anharmonic phonon properties☆29Aug 19, 2026Updated last month
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Jul 6, 2026Updated 3 months ago
- PyTorch/PyG implementation of M3GNet☆12Sep 11, 2023Updated 3 years ago
- Software for evaluating pareto-optimal synthesis pathways☆23Jun 10, 2024Updated 2 years ago
- ☆25Aug 19, 2026Updated last month
- Pymatgen Core☆29Oct 2, 2026Updated last week
- Up-scale python functions for high-performance computing (HPC)☆77Oct 1, 2026Updated last week
- dataset augmentation for atomistic machine learning☆27Nov 21, 2025Updated 10 months 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.
- Build and run container environment for LFRic☆11Jan 8, 2024Updated 2 years ago
- The MDF Connect Client is the Python client to easily submit datasets to MDF Connect.☆10Jun 22, 2026Updated 3 months ago
- ☆10Sep 26, 2025Updated last year
- This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful u…☆85Jul 27, 2026Updated 2 months ago
- Alchemical machine learning interatomic potentials☆39Nov 8, 2024Updated last year
- Repo for a DOE HPC workflow training event☆15Apr 28, 2023Updated 3 years ago
- Workflow for CONNectivity preserving Geometry Optimization☆12Sep 2, 2021Updated 5 years ago
- Library for steering campaigns of simulations on supercomputers☆61Jun 2, 2025Updated last year
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆48Sep 30, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- URL links to phonondb data☆43May 20, 2026Updated 4 months ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆108Jan 28, 2026Updated 8 months ago
- Time-critical notification system designed to trigger users' workflows across HPC and Cloud systems☆11Jun 8, 2026Updated 4 months ago
- Multi-Threaded Bader Charge Partitioning☆17Mar 17, 2026Updated 6 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆60Sep 26, 2025Updated last year
- Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…☆16Aug 14, 2026Updated last month
- Visualization for TRI materials network data☆17Jul 18, 2023Updated 3 years ago