☆16Jan 31, 2026Updated 6 months ago
Alternatives and similar repositories for mace-ft-tutorial
Users that are interested in mace-ft-tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆10Sep 26, 2025Updated 11 months ago
- A benchmark for Large Atomistic Models☆20Updated this week
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- ☆13Apr 12, 2023Updated 3 years ago
- PhononBench is a phonon-based benchmark for large-scale dynamical stability evaluation of AI-generated crystals, featuring 100k+ structur…☆38May 29, 2026Updated 3 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.
- bands4vasp -- post processing package for the analysis of unfolded eigenstates in VASP, and much more: band structures, 2D and 3D Fermi s…☆16May 18, 2026Updated 3 months ago
- ReaxNet: a polarizable long-range interactions integrated equivariant machine learning potential☆17Jan 6, 2026Updated 7 months ago
- A Benchmarking Framework for Crystal GNNs☆22Jan 3, 2024Updated 2 years ago
- ☆25Jan 5, 2026Updated 7 months ago
- AMLP integrates dataset creation, input/output handling, and analysis for machine learning interatomic potentials. It supports Gaussian, …☆42Mar 9, 2026Updated 5 months ago
- High-throughput simulation for crystalline interfaces☆22Updated this week
- Equivariant machine learning model for predicting self-consistent Hubbard parameters☆19Apr 13, 2026Updated 4 months ago
- Framework to evaluate UMLFFs on experimental data☆15Jul 25, 2026Updated last month
- Datasets for benchmarking machine learning models for predicting Li-ion migration☆37Jun 5, 2025Updated last year
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Material Potential Library (MatPL) (formerly known as PWMLFF, https://github.com/LonxunQuantum/PWMLFF) is an open-source software package…☆17Updated this week
- ☆20Updated this week
- Tensor Atomic/Edge Cluster Expansion☆62Updated this week
- Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models☆13Feb 19, 2025Updated last year
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆105Jul 2, 2026Updated last month
- ☆14Jul 28, 2026Updated last month
- Automated physical feature engineering for polymer informatics (APFEforPI), which has been utilized for the exploitation of high thermal …☆15Jun 28, 2024Updated 2 years ago
- Sum-of-Gaussians Neural Network (SOG-Net) is a lightweight and versatile framework for integrating long-range interactions into machine l…☆35Dec 23, 2025Updated 8 months ago
- Input files for ASE-MC manuscript☆33Jul 30, 2026Updated last month
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Collection of tutorials to use the MACE machine learning force field.☆71Jul 13, 2026Updated last month
- ML potentials via transfer learning☆30Jul 28, 2026Updated last month
- Generator of polynomial machine learning potentials☆22Updated this week
- GUI for running simulations with universal MLIPs (MACE, CHGNet, SevenNet, Nequix, ORB, Allegro, MatterSim, UPET, GRACE)☆44Updated this week
- REICO-unbiased random sampling to generate diverse datasets encompassing a wide range of atomic configurations and bonding scenarios. EML…☆32Feb 14, 2025Updated last year
- Repository for 9th I-CoMSE virtual workshop for machine learning for molecules☆15May 3, 2025Updated last year
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆59Jul 29, 2026Updated last month
- Implementation for MOFFlow: Flow Matching for Structure Prediction of Metal-Organic Frameworks☆27Aug 28, 2025Updated last year
- Shared repo for trajectory analysis and infrastructure development☆24Feb 21, 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.
- A tool to convert "App in the Air" data export to MyFlightradar24 format☆19Oct 15, 2024Updated last year
- Sample codes on computational solid state physics☆17Aug 15, 2020Updated 6 years ago
- Supplementary Data for "A graph representation of molecular ensembles for polymer property prediction"☆25Oct 12, 2022Updated 3 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- A tool for constructing accurate machine learning force fields in moir\'e systems☆20Feb 12, 2026Updated 6 months ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- This is the data file associated with the publication "User-defined Electrostatic Potentials in DFT Supercell Calculations: Implementatio…☆17Apr 16, 2026Updated 4 months ago