bytedance / LapNetLinks
Efficient and Accurate Neural-Network Ansatz for Quantum Monte Carlo
☆69Updated 9 months ago
Alternatives and similar repositories for LapNet
Users that are interested in LapNet are comparing it to the libraries listed below
Sorting:
- A JAX based package designed for efficient second order operators (e.g., laplacian) computation.☆72Updated last year
- JAX accelerated Quantum Monte Carlo☆85Updated last month
- A JAX library for Density Functional Theory.☆54Updated 3 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 5 months ago
- PySCF with auto-differentiation☆86Updated last month
- Machine learning for physicists☆135Updated 2 years ago
- Space Group Informed Transformer for Crystalline Materials Generation☆117Updated 2 months ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆40Updated 3 years ago
- Materials Learning Algorithms. A framework for machine learning materials properties from first-principles data.☆94Updated this week
- GradDFT is a JAX-based library enabling the differentiable design and experimentation of exchange-correlation functionals using machine l…☆104Updated last year
- Reference implementation of "Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions" (ICLR, 2022) and "Sampling-f…☆30Updated last year
- A library combining solid quantum Monte Carlo and neural network.☆45Updated 9 months ago
- Deep learning quantum Monte Carlo for electrons in real space☆394Updated 2 months ago
- Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)☆114Updated 3 years ago
- Python library for real space quantum Monte Carlo☆92Updated last month
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆39Updated 3 years ago
- a package for developing machine learning-based chemically accurate energy and density functional models☆112Updated 4 months ago
- Quantum computational chemistry based on TensorCircuit☆67Updated 2 months ago
- A Python library for building atomic neural networks☆117Updated 5 months ago
- A minimalistic atomic Density Functional Theory (DFT) code☆139Updated this week
- Mathematical Introduction to Electronic Structure Theory☆47Updated 6 years ago
- ☆95Updated 3 months ago
- Exchange correlation functionals translated from libxc to jax☆45Updated 5 months ago
- Quantum dynamics package based on tensor network states☆62Updated last month
- Monte Carlo simulation on 2D XY-model☆25Updated 6 years ago
- An electronic structure package based on either plane wave basis or numerical atomic orbitals.☆178Updated last month
- ☆19Updated 7 months ago
- DeePTB: A deep learning package for tight-binding Hamiltonian with ab initio accuracy.☆85Updated last week
- Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.☆68Updated last year
- 1D density functional theory code in Python☆135Updated 2 years ago