atomind-ai / mlip-arenaLinks
Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics https://openreview.net/forum?id=SAT0KPA5UO
☆78Updated 3 weeks ago
Alternatives and similar repositories for mlip-arena
Users that are interested in mlip-arena are comparing it to the libraries listed below
Sorting:
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated last month
- Train, fine-tune, and manipulate machine learning models for atomistic systems☆48Updated this week
- Alchemical machine learning interatomic potentials☆31Updated last year
- Compute neighbor lists for atomistic systems☆64Updated last week
- ⚛ download and manipulate atomistic datasets☆47Updated last month
- ☆29Updated this week
- Quick Uncertainty and Entropy via STructural Similarity☆50Updated this week
- Atomistic machine learning models you can use everywhere for everything☆28Updated last week
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆63Updated 3 weeks ago
- Collection of tutorials to use the MACE machine learning force field.☆49Updated last year
- Computing representations for atomistic machine learning☆74Updated last week
- MACE_Osaka24 models☆21Updated 10 months ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆48Updated last week
- Cross-platform Optimizer for ML Interatomic Potentials☆20Updated 2 months ago
- ☆21Updated last year
- ☆30Updated last month
- Display and Edit Molecules (https://zndraw.icp.uni-stuttgart.de)☆46Updated this week
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 3 weeks ago
- train and use graph-based ML models of potential energy surfaces☆112Updated this week
- python workflow toolkit☆44Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated 2 weeks ago
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated last year
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated 3 months ago
- A foundational potential energy dataset for materials☆45Updated last week
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆65Updated 2 weeks ago
- A fully featured ASE calculator for xTB☆21Updated last year
- Tools for machine learnt interatomic potentials☆39Updated this week
- ☆27Updated 4 months ago