YWolfeee / lapjax
A JAX based package designed for efficient second order operators (e.g., laplacian) computation.
☆70Updated 8 months ago
Related projects ⓘ
Alternatives and complementary repositories for lapjax
- Efficient and Accurate Neural-Network Ansatz for Quantum Monte Carlo☆55Updated 6 months ago
- A JAX library for Density Functional Theory.☆42Updated 6 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…☆51Updated 5 months ago
- JAX accelerated Quantum Monte Carlo☆46Updated last month
- Forward mode laplacian implemented in JAX tracer☆29Updated 2 weeks ago
- Machine learning for physicists☆115Updated last year
- Exchange correlation functionals translated from libxc to jax☆43Updated 11 months ago
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆28Updated 5 months ago
- PySCF with auto-differentiation☆69Updated last week
- Mathematical Introduction to Electronic Structure Theory☆41Updated 5 years ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆34Updated 2 years ago
- Space Group Informed Transformer for Crystalline Materials Generation☆55Updated 3 months ago
- Code for 'Solving Statistical Mechanics using Variational Autoregressive Networks'.☆91Updated 3 months ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆36Updated 2 years ago
- jax library for E3 Equivariant Neural Networks☆184Updated last month
- Code for the paper "Poseidon: Efficient Foundation Models for PDEs"☆104Updated last month
- E3x is a JAX library for constructing efficient E(3)-equivariant deep learning architectures built on top of Flax.☆90Updated last week
- ☆37Updated 10 months ago
- A minimalistic atomic Density Functional Theory (DFT) code☆119Updated this week
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆82Updated this week
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆54Updated 2 weeks ago
- Implementation of Forward Laplacian algorithm in JAX☆55Updated 2 weeks ago
- [ICLR 2024] Neural Spectral Methods: Self-supervised learning in the spectral domain.☆33Updated 9 months ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆106Updated 2 years ago
- A library combining solid quantum Monte Carlo and neural network.☆34Updated 5 months ago
- Equivariant machine learning interatomic potentials in JAX.☆62Updated last year
- Official implementation of DeepDFT model☆61Updated last year
- DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.☆55Updated this week
- AI for Science☆84Updated 7 months ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆20Updated last year