google-deepmind / materials_discoveryLinks
☆1,062Updated 4 months ago
Alternatives and similar repositories for materials_discovery
Users that are interested in materials_discovery are comparing it to the libraries listed below
Sorting:
- ORB forcefield models from Orbital Materials☆503Updated last week
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.☆471Updated 3 months ago
- Graph deep learning library for materials☆448Updated this week
- 🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.☆565Updated last week
- FAIR Chemistry's library of machine learning methods for chemistry☆1,803Updated this week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.☆917Updated this week
- NequIP is a code for building E(3)-equivariant interatomic potentials☆808Updated 2 weeks ago
- Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentials☆436Updated last month
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆335Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.☆299Updated 6 months ago
- Crystal graph convolutional neural networks for predicting material properties.☆787Updated 4 years ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆433Updated 3 weeks ago
- Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tune…☆1,532Updated 3 weeks ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆544Updated 2 years ago
- Data mining for materials science☆556Updated last week
- Torch-native, batchable, atomistic simulations.☆336Updated this week
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆334Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆285Updated 2 months ago
- Foundation Model for Materials - FM4M☆262Updated last month
- SchNetPack - Deep Neural Networks for Atomistic Systems☆879Updated 3 weeks ago
- Artificial Intelligence Research for Science (AIRS)☆699Updated last week
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆365Updated this week
- Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used…☆182Updated 7 months ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorch☆667Updated 9 months ago
- Training neural network potentials☆445Updated last month
- Chemcrow☆829Updated 10 months ago
- A deep learning package for many-body potential energy representation and molecular dynamics☆1,776Updated this week
- Curated list of known efforts in materials informatics, i.e. in modern materials science☆470Updated 2 months ago
- Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support f…☆1,739Updated last week
- Deep neural networks for density functional theory Hamiltonian.☆299Updated last year