scifm / summer-school-2024Links
☆39Updated last year
Alternatives and similar repositories for summer-school-2024
Users that are interested in summer-school-2024 are comparing it to the libraries listed below
Sorting:
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆40Updated 10 months ago
- ☆44Updated last year
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆64Updated 8 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆110Updated 9 months ago
- Equivariant machine learning interatomic potentials in JAX.☆81Updated this week
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- Higher order equivariant graph neural networks for 3D point clouds☆46Updated 2 years ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆79Updated 5 months ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 10 months ago
- ☆64Updated last year
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Updated last week
- Spring 2023 seminar on automated experiment☆22Updated 2 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated this week
- ☆20Updated last month
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆70Updated 3 years ago
- ☆25Updated 5 months ago
- State-of-the-art generative model for crystal structure prediction and de novo generation of inorganic crystals.☆38Updated 3 weeks ago
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆90Updated this week
- A Python module for fast computation of 2D and 3D radial distribution functions (RDFs).☆31Updated 2 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Updated last year
- CUDA implementations of MACE models☆20Updated 4 months ago
- Connecting experimental materials science with computational modeling and literature analysis via LLM-powered agents☆44Updated this week
- Python Suite for Advanced General Ensemble Simulations☆93Updated this week
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- [NeurIPS'25 AI4Mat] Nequix: Training a foundation model for materials on a budget.☆55Updated 3 weeks ago
- repository and website for tutorials on 3d Euclidean equivariant neural networks☆76Updated 4 years ago
- ☆53Updated 3 years ago
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆39Updated 10 months ago
- N-Dimensional MD engine with symmetry group constraints written in C☆50Updated last year