ilyes319 / mace-tutorials-cscLinks
☆11Updated last year
Alternatives and similar repositories for mace-tutorials-csc
Users that are interested in mace-tutorials-csc are comparing it to the libraries listed below
Sorting:
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 4 months ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- ☆40Updated 3 weeks ago
- MACE_Osaka24 models☆24Updated last year
- Tools for machine learnt interatomic potentials☆42Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆55Updated this week
- python workflow toolkit☆43Updated 3 weeks ago
- ☆21Updated last year
- Collection of Tutorials on Machine Learning Interatomic Potentials☆23Updated last year
- This repository contains the source code for Bayesian Learned Interatomic Potentials (BLIP)☆29Updated 4 months ago
- A RL framework for Crystal Structure Generation using GRPO☆37Updated 3 weeks ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- dataset augmentation for atomistic machine learning☆22Updated last month
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated 5 months ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- ☆12Updated last week
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated last week
- A collection of files related to machine learning force fields☆23Updated 2 years ago
- Alchemical machine learning interatomic potentials☆32Updated last year
- ☆33Updated 3 weeks ago
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 9 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆55Updated 2 months ago
- ⚛ download and manipulate atomistic datasets☆48Updated last month
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆87Updated 3 weeks ago
- Compute neighbor lists for atomistic systems☆70Updated this week
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- materials science related animations☆13Updated last year
- Calculation of vibrational spectra with quantum nuclear motion☆12Updated last year
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago