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:
- ☆42Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆39Updated 8 months ago
- Course materials for "Applied AI for Materials Science and Engineering"☆68Updated 3 years ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆85Updated 6 months ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- Equivariant machine learning interatomic potentials in JAX.☆79Updated last week
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Updated last year
- Spring 2023 seminar on automated experiment☆23Updated 2 years ago
- ☆25Updated 4 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 7 months ago
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆63Updated 7 months ago
- ☆64Updated last year
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆71Updated 4 months ago
- Higher order equivariant graph neural networks for 3D point clouds☆45Updated 2 years ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- Connecting experimental materials science with computational modeling and literature analysis via LLM-powered agents☆39Updated this week
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆28Updated 9 months ago
- Materials Science Understanding Large Language Model☆20Updated last month
- Steerable E(3) GNN in jax☆24Updated 2 years ago
- Multiobjective active learning with tunable accuracy/efficiency tradeoff and clear stopping criterion.☆41Updated 8 months ago
- Olympus: a benchmarking framework for noisy optimization and experiment planning☆91Updated last year
- Gaussian process augmented with a probabilistic model of expected system's behavior☆15Updated 3 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆97Updated 2 months ago
- N-Dimensional MD engine with symmetry group constraints written in C☆50Updated last year
- Massively parallel hybrid particle-field molecular dynamics in Python.☆29Updated last year
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆23Updated last year
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Updated last year
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆36Updated last year
- Deep PXRD Crystallography with CDVAE.☆22Updated 5 months ago
- ☆53Updated 3 years ago