ChemAI-Lab / ofdft_nflowsLinks
Nomalizing flows for orbita-free DFT
☆10Updated 11 months ago
Alternatives and similar repositories for ofdft_nflows
Users that are interested in ofdft_nflows are comparing it to the libraries listed below
Sorting:
- A JAX-based Differentiable Density Functional Theory Framework for Materials☆32Updated last week
- DeepErwin is a python 3.8+ package that implements and optimizes JAX 2.x wave function models for numerical solutions to the multi-electr…☆59Updated 4 months ago
- ESI-DCAFM-TACO-VDSP Summer School on "Machine Learning for Materials Hard and Soft"☆39Updated 3 years ago
- Supporting code for "Autoregressive neural-network wavefunctions for ab initio quantum chemistry".☆40Updated 3 years ago
- An implementation of SchNet in JAX and JAX-MD.☆17Updated 3 years ago
- Calculate observables from neural network-based VMC (NN-VMC).☆15Updated 4 months ago
- ☆21Updated last week
- Steerable E(3) GNN in jax