ChengUCB / lesLinks
☆21Updated 2 weeks ago
Alternatives and similar repositories for les
Users that are interested in les are comparing it to the libraries listed below
Sorting:
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 8 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆37Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆45Updated 3 weeks ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆33Updated 2 months ago
- Cross-platform Optimizer for ML Interatomic Potentials☆19Updated this week
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/foru…☆58Updated this week
- MACE_Osaka24 models☆15Updated 6 months ago
- Tools for machine learnt interatomic potentials☆33Updated last week
- ☆21Updated last year
- Compute neighbor lists for atomistic systems☆53Updated this week
- Phonons from ML force fields☆21Updated this week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆23Updated 5 months ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆53Updated last month
- dataset augmentation for atomistic machine learning☆19Updated 2 weeks ago
- Collection of tutorials to use the MACE machine learning force field.☆47Updated 9 months ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆29Updated 3 months ago
- Reproduction of CGCNN for predicting material properties☆21Updated this week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆19Updated 11 months ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated 8 months ago
- Alchemical machine learning interatomic potentials☆29Updated 8 months ago
- Active Learning for Machine Learning Potentials☆55Updated last year
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 5 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆61Updated 2 weeks ago
- Tutorial exercises for the OPTIMADE API☆15Updated last year
- Random symmetric initialization of crystals☆22Updated 7 years ago
- Atomistic machine learning models you can use everywhere for everything☆15Updated this week
- materials science related animations☆11Updated 6 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆13Updated 2 weeks ago
- Code repo of Automated MUltiscale Simulation Environment (AMUSE) for multiscale modeling of heterogenous catalytic reactions☆22Updated 8 months ago