scifm / summer-school-2024Links
☆37Updated 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:
- ☆41Updated last year
- Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.☆36Updated 5 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…☆58Updated 3 months ago
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆109Updated 4 months ago
- Equivariant machine learning interatomic potentials in JAX.☆74Updated 3 months ago
- ☆63Updated 8 months ago
- Course materials for "Applied AI for Materials Science and Engineering"☆65Updated 3 years ago
- Flow matching for accelerated simulation of atomic transport☆13Updated 5 months ago
- Simplifying the discovery and usage of machine-learning ready datasets in materials science and chemistry☆82Updated 2 months ago
- ☆23Updated last week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆79Updated last week
- Code for performing adversarial attacks on atomistic systems using NN potentials☆39Updated 2 years ago
- Python Suite for Advanced General Ensemble Simulations☆91Updated 2 months ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆94Updated 2 weeks ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- [ICLR'24] Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation☆23Updated 5 months ago
- MESS: Modern Electronic Structure Simulations☆20Updated 10 months ago
- A JAX library for Density Functional Theory.☆54Updated last month
- Spring 2023 seminar on automated experiment☆23Updated 2 years ago
- Pytorch differentiable molecular dynamics☆178Updated 2 years ago
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆20Updated 10 months ago
- State-of-the-art generative model for crystal structure prediction and de novo generation of inorganic crystals.☆30Updated this week
- Point Edge Transformer☆29Updated 2 months ago
- python library for atomistic machine learning☆84Updated last month
- jax library for E3 Equivariant Neural Networks☆212Updated 6 months ago
- Build neural networks for machine learning force fields with JAX☆123Updated 2 months ago
- N-Dimensional MD engine with symmetry group constraints written in C☆49Updated last year
- Learning neural network potentials from experimental data via Differentiable Trajectory Reweighting☆32Updated last year
- Higher order equivariant graph neural networks for 3D point clouds☆41Updated 2 years ago
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆21Updated 11 months ago