bytedance / netobs
Calculate observables from neural network-based VMC (NN-VMC).
☆12Updated last week
Alternatives and similar repositories for netobs:
Users that are interested in netobs are comparing it to the libraries listed below
- tools for graph-based machine-learning potentials in jax☆19Updated 11 months ago
- Arbitrary order exchange-correlation functional derivatives using JAX.☆22Updated 4 years ago
- ☆21Updated 11 months ago
- variational free-energy of dense hydrogen☆12Updated last year
- MESS: Modern Electronic Structure Simulations☆27Updated 5 months ago
- MESS: Modern Electronic Structure Simulations☆19Updated 5 months ago
- Flexible, general-purpose VMC framework, built on JAX.☆26Updated this week
- ☆22Updated last year
- GPS plugin for NetKet (www.netket.org), introducing new models, optimizers and Fermionic functionality.☆16Updated last week
- A library combining solid quantum Monte Carlo and neural network.☆37Updated 3 months ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆35Updated 2 years ago
- ☆20Updated 11 months ago
- Fast computation of a gaussian and its derivative on a grid.☆30Updated 10 months ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 2 years ago
- Equivariant machine learning interatomic potentials in JAX.☆71Updated last year
- A fully autodifferentiable and variational HF☆41Updated 4 years ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆55Updated last month
- A collection of codes to compute dynamics and response quantities from Wannier90 output☆11Updated 3 months ago
- Auto-differentiated descriptors using Enzyme☆12Updated 5 months ago
- ☆15Updated 3 months ago
- Cornell-Holland Ab-initio Materials Package☆15Updated 7 months ago
- Point symmetry analysis tool for theoretical chemistry objects☆20Updated this week
- CUDA implementations of MACE models☆13Updated last month
- n2v: Density-to-potential Inversion Suite☆22Updated 2 years ago
- Draft for my book about implementing density functional theory☆18Updated last month
- plane wave basis set density functional thoery code☆19Updated last month
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆41Updated 2 years ago
- ☆14Updated last month