SNU-ARC / flashTPLinks
Torch-native C++/CUDA library to accelerate tensor-product layers in MLIPs
☆53Updated 2 months ago
Alternatives and similar repositories for flashTP
Users that are interested in flashTP are comparing it to the libraries listed below
Sorting:
- ☆42Updated last week
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- A flexible workflow for on-the-fly learning of interatomic potential models.☆32Updated this week
- Cross-platform Optimizer for ML Interatomic Potentials☆23Updated 5 months ago
- Compute neighbor lists for atomistic systems☆73Updated this week
- Collection of tutorials to use the MACE machine learning force field.☆51Updated 2 weeks ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Updated last year
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆27Updated last week
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated last year
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆29Updated this week
- Tools for machine learnt interatomic potentials☆42Updated last week
- Phonons from ML force fields☆23Updated 6 months ago
- ☆30Updated 6 months ago
- MACE_Osaka24 models☆25Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 3 months ago
- ML potentials via transfer learning☆24Updated last week
- Deep Potential Evolution Accelerator☆20Updated this week
- Collection of Tutorials on Machine Learning Interatomic Potentials☆25Updated last year
- ⚛ download and manipulate atomistic datasets☆48Updated 2 months ago
- ☆22Updated last year
- Alchemical machine learning interatomic potentials☆33Updated last year
- ☆13Updated last year
- ☆32Updated this week
- Computing representations for atomistic machine learning☆75Updated last week
- 🌟 [NeurIPS '25 Spotlight] Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics …☆88Updated last week
- Quick Uncertainty and Entropy via STructural Similarity☆56Updated 3 weeks ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆92Updated 4 months ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆29Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆58Updated 2 months ago
- DeePMD-kit plugin for various graph neural network models☆52Updated last week