gomes-lab / Mat2Spec
☆28Updated 2 years ago
Alternatives and similar repositories for Mat2Spec:
Users that are interested in Mat2Spec are comparing it to the libraries listed below
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆35Updated 9 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- ☆33Updated 8 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆70Updated 2 years ago
- Original implementation of CSPML☆23Updated 3 months ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- ☆31Updated 4 years ago
- FTCP code☆33Updated last year
- Graph neural network potential with charge transfer☆35Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆39Updated 3 years ago
- Official implementation of DeepDFT model☆71Updated 2 years ago
- ☆22Updated 2 years ago
- Active Learning for Machine Learning Potentials☆52Updated 10 months ago
- Wyckoff Inorganic Crystal Generator Framework☆21Updated 2 weeks ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆46Updated last year
- ☆27Updated last year
- The Wren sits on its Roost in the Aviary.☆53Updated 3 weeks ago
- ☆26Updated 3 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆28Updated last year
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆18Updated 2 years ago
- ☆23Updated 7 months ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆38Updated 3 months ago
- ☆21Updated last year
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago