LeMaterial / lematerial-hasher
☆17Updated this week
Alternatives and similar repositories for lematerial-hasher:
Users that are interested in lematerial-hasher are comparing it to the libraries listed below
- ☆21Updated last year
- Benchmarking foundation Machine Learning Potentials with Lattice Thermal Conductivity from Anharmonic Phonons☆16Updated 6 months ago
- Compute neighbor lists for atomistic systems☆53Updated 2 weeks ago
- ☆11Updated last year
- ☆40Updated last week
- ☆15Updated this week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆36Updated 11 months ago
- Active Learning for Machine Learning Potentials☆55Updated 11 months ago
- python workflow toolkit☆39Updated 2 months ago
- Quick Uncertainty and Entropy via STructural Similarity☆39Updated this week
- MACE_Osaka24 models☆14Updated 4 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 2 years ago
- Heat-conductivity benchmark test for foundational machine-learning potentials☆23Updated 3 months ago
- Fair and transparent benchmark of machine learning interatomic potentials (MLIPs), beyond basic error metrics☆56Updated this week
- CUDA implementations of MACE models☆14Updated 3 months ago
- ☆23Updated last year
- Alchemical machine learning interatomic potentials☆15Updated 6 months ago
- MESS: Modern Electronic Structure Simulations☆30Updated last month
- Training and evaluating machine learning models for atomistic systems.☆31Updated this week
- Tools for machine learnt interatomic potentials☆28Updated last week
- A software for automating materials science computations☆30Updated 3 weeks ago
- Computing representations for atomistic machine learning☆71Updated last week
- Sparse Gaussian Process Potentials☆27Updated last month
- ☆19Updated last month
- Collection of Tutorials on Machine Learning Interatomic Potentials☆18Updated 9 months ago
- ⚛ download and manipulate atomistic datasets☆44Updated 4 months ago
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆47Updated last month
- ☆21Updated last year
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆11Updated 3 weeks ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 10 months ago