ASK-Berkeley / StABlE-TrainingLinks
[TMLR 2025] Stability-Aware Training of Machine Learning Force Fields with Differentiable Boltzmann Estimators
☆15Updated 2 months ago
Alternatives and similar repositories for StABlE-Training
Users that are interested in StABlE-Training are comparing it to the libraries listed below
Sorting:
- Training Neural Network potentials through customizable routines in JAX.☆61Updated 6 months ago
- ☆23Updated 2 years ago
- MACE-OFF23 models☆59Updated last year
- ☆12Updated last year
- ☆42Updated 2 weeks ago
- Particle-mesh based calculations of long-range interactions in PyTorch☆70Updated last week
- Particle-mesh based calculations of long-range interactions in JAX☆23Updated last week
- Collection of tutorials to use the MACE machine learning force field.☆52Updated 2 weeks ago
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆89Updated 2 weeks ago
- [NeurIPS 2024] source code for "A Recipe for Charge Density Prediction"☆39Updated last year
- MESS: Modern Electronic Structure Simulations☆43Updated 4 months ago
- ☆32Updated last week
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆58Updated 4 months ago
- Alchemical machine learning interatomic potentials☆33Updated last year
- Generate and predict molecular electron densities with Euclidean Neural Networks☆49Updated 2 years ago
- train and use graph-based ML models of potential energy surfaces☆121Updated last month
- MACE_Osaka24 models☆25Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- Compute neighbor lists for atomistic systems☆73Updated this week
- Computing representations for atomistic machine learning☆76Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆60Updated 3 months ago
- [npj Comp. Mat.] Higher-order equivariant neural networks for charge density prediction in materials☆71Updated 11 months ago
- ☆17Updated last year
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆96Updated 2 weeks ago
- [ICLR 2025] Official Implementation of "Towards Fast, Specialized Machine Learning Force Fields: Distilling Foundation Models via Energy …☆21Updated 9 months ago
- Deprecated - see `pair_nequip_allegro`☆44Updated 9 months ago
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 5 months ago
- Collection of Tutorials on Machine Learning Interatomic Potentials☆25Updated last year
- ⚛ download and manipulate atomistic datasets☆48Updated 2 months ago
- MLP training for molecular systems☆56Updated 3 weeks ago