PV-Lab / FTCPLinks
FTCP code
☆35Updated last year
Alternatives and similar repositories for FTCP
Users that are interested in FTCP are comparing it to the libraries listed below
Sorting:
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- ☆26Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆71Updated 2 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆46Updated 2 months ago
- A text-guided diffusion model for crystal structure generation☆62Updated 2 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆119Updated 7 months ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated last month
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆24Updated 10 months ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆48Updated last month
- Official implementation of DeepDFT model☆82Updated 2 years ago
- AI for crystal materials☆75Updated 2 weeks ago
- ☆32Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆64Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆115Updated 4 months ago
- ☆89Updated 3 weeks ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆69Updated last week
- ☆33Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 8 months ago
- A repository for implementing graph network models based on atomic structures.☆91Updated last year
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Higher-order equivariant neural networks for charge density prediction in materials☆61Updated 6 months ago
- ☆10Updated last year
- Crystal Edge Graph Attention Neural Network☆22Updated last year
- train and use graph-based ML models of potential energy surfaces☆102Updated 3 weeks ago