PV-Lab / FTCPLinks
FTCP code
☆35Updated 2 years ago
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
- A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
- ☆26Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆51Updated 5 months ago
- Official implementation of DeepDFT model☆85Updated 2 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆36Updated 3 weeks ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ☆33Updated last year
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Updated 5 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated 3 weeks ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆72Updated 2 weeks ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48Updated 2 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆25Updated last year
- GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated 2 weeks ago
- A system for rapid identification and analysis of metal-organic frameworks☆62Updated 11 months ago
- ☆29Updated 3 years ago
- ☆10Updated last year
- Predict materials properties using only the composition information!☆112Updated 2 years ago
- Wyckoff Inorganic Crystal Generator Framework☆25Updated 8 months ago
- A Curated Dataset of Crystal Structures and Experimentally Measured Ionic Conductivities for Lithium Solid-State Electrolytes☆35Updated last week
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- train and use graph-based ML models of potential energy surfaces☆112Updated this week
- Workflow for creating and analyzing the Open Catalyst Dataset☆118Updated 9 months ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated 2 years ago
- ☆34Updated 3 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆79Updated 3 years ago