A free and open platform for interactive benchmarking and simulations using machine learning interatomic potentials
☆24Oct 14, 2026Updated this week
Alternatives and similar repositories for MLIP-Studio
Users that are interested in MLIP-Studio are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Modular and Open-source Implicit Solvation Toolkit (MOIST): smooth, differentiable molecular cavities, efficient PCMs, pressure (GOST…☆25Updated this week
- Package for systematic insights into materials discovery models’ performance through standardized chemical cross-validation protocols☆13Nov 15, 2025Updated 11 months ago
- ☆17Jul 23, 2026Updated 2 months ago
- generalized machine learning potential eqnorm☆14Jun 30, 2025Updated last year
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 2 months ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Atomistic foundation models for materials simulation and discovery. Research previews from Kairos Materials.☆57Oct 2, 2026Updated 2 weeks ago
- ☆38Oct 11, 2026Updated last week
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 5 months ago
- ☆22Updated this week
- A collection of simulation recipes for the atomic-scale modeling of materials and molecules☆56Updated this week
- Zentropy-enhanced neural network☆23Jan 3, 2026Updated 9 months ago
- Enhanced sampling in the representation space of atomistic neural networks.☆17Oct 12, 2026Updated last week
- ☆13Jun 29, 2025Updated last year
- MACE-Field - Fast and accurate machine learning interatomic potentials under an external electric field for predicting dielectric propert…☆33Sep 21, 2026Updated 3 weeks 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.
- ☆17Apr 22, 2025Updated last year
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆30Sep 24, 2026Updated 3 weeks ago
- Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching☆35Aug 28, 2026Updated last month
- CrystalGRW: Generative Modeling of Crystal Structures with Targeted Properties via Geodesic Random Walks☆15May 22, 2026Updated 4 months ago
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated last year
- JAX implementation of the NequIP neural network interatomic potential☆17Feb 24, 2026Updated 7 months ago
- ML potentials via transfer learning☆30Updated this week
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- Quantum Chemistry Teaching Labs and Exercises☆12Aug 16, 2022Updated 4 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆15Feb 17, 2025Updated last year
- A cellular automaton for simulation solid state reactions☆20Sep 14, 2026Updated last month
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Oct 9, 2026Updated last week
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- This WaNo performs the DFT calculation using Vasp code. In this WaNo, the POTCAR might be automatically generated after reading the POSCA…☆14Jun 30, 2025Updated last year
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆22Oct 9, 2026Updated last week
- ☆29Nov 3, 2025Updated 11 months ago
- ☆18Feb 26, 2026Updated 7 months ago
- Automated DFT Input File Generator using wxDragon☆16Sep 21, 2023Updated 3 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- An AiiDA workflow that implements a fully automated active learning scheme to train a neural network interatomic potential☆13Jul 2, 2026Updated 3 months ago
- Pharmacon: A Molecular Dynamics Analysis Toolkit☆25Oct 5, 2026Updated 2 weeks ago
- Lightweight diffusion transformer for crystalline materials discovery☆27Oct 4, 2026Updated 2 weeks ago
- A simple walkthrough and template for NEB runs on VASP.☆19Jan 28, 2022Updated 4 years ago
- Crystal Host-Guided Generation☆19Apr 24, 2025Updated last year
- Flow matching for accelerated simulation of atomic transport☆69Oct 17, 2025Updated last year
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year