google-deepmind / materials_discoveryLinks
β1,018Updated last month
Alternatives and similar repositories for materials_discovery
Users that are interested in materials_discovery are comparing it to the libraries listed below
Sorting:
- FAIR Chemistry's library of machine learning methods for chemistryβ1,606Updated last week
- π A ranked list of awesome atomistic machine learning projects βοΈπ§¬π.β517Updated last week
- MatterSim: A deep learning atomistic model across elements, temperatures and pressures.β429Updated 2 weeks ago
- Graph deep learning library for materialsβ365Updated this week
- ORB forcefield models from Orbital Materialsβ453Updated last week
- MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.β792Updated last week
- Materials graph network with 3-body interactions featuring a DFT surrogate crystal relaxer and a state-of-the-art property predictor.β290Updated 3 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.β418Updated last week
- Allegro is an open-source code for building highly scalable and accurate equivariant deep learning interatomic potentialsβ413Updated 2 weeks ago
- NequIP is a code for building E(3)-equivariant interatomic potentialsβ752Updated last week
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.govβ317Updated 3 months ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystalsβ535Updated 2 years ago
- Artificial Intelligence Research for Science (AIRS)β656Updated this week
- Chemcrowβ783Updated 7 months ago
- Crystal graph convolutional neural networks for predicting material properties.β756Updated 3 years ago
- Data mining for materials scienceβ534Updated this week
- Curated list of known efforts in materials informatics, i.e. in modern materials scienceβ454Updated last month
- β262Updated 6 months ago
- End-To-End Molecular Dynamics (MD) Engine using PyTorchβ649Updated 6 months ago
- Foundation Model for Materials - FM4Mβ237Updated 2 weeks ago
- Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely usedβ¦β176Updated 3 months ago
- Official implementation of MatterGen -- a generative model for inorganic materials design across the periodic table that can be fine-tuneβ¦β1,425Updated this week
- DScribe is a python package for creating machine learning descriptors for atomistic systems.β438Updated 7 months ago
- Deep neural networks for density functional theory Hamiltonian.β284Updated 9 months ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/alβ¦β273Updated 3 weeks ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]β307Updated 11 months ago
- Training neural network potentialsβ419Updated last month
- [ICLR 2024] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representationsβ275Updated 5 months ago
- A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.β348Updated last week
- An open-source Python package for creating fast and accurate interatomic potentials.β329Updated last month