kaist-amsg / CryslatorLinks
☆12Updated 2 years ago
Alternatives and similar repositories for Cryslator
Users that are interested in Cryslator are comparing it to the libraries listed below
Sorting:
- Heat capacity predictor for porous materials☆12Updated last year
 - Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
 - Basic sanity checks for MOFs.☆31Updated 2 years ago
 - A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
 - Crystal Edge Graph Attention Neural Network☆23Updated last year
 - ☆64Updated 4 years ago
 - A system for rapid identification and analysis of metal-organic frameworks☆62Updated 10 months ago
 - A Reinforcement Framework for Inverse Design of MOFs☆32Updated last year
 - Original implementation of CSPML☆27Updated 10 months ago
 - Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
 - Python library for the construction of porous materials using topology and building blocks.☆79Updated 5 months ago
 - ☆20Updated last year
 - Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆44Updated 2 years ago
 - Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
 - Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
 - Official implementation of DeepDFT model☆84Updated 2 years ago
 - ☆30Updated last month
 - ☆48Updated 3 years ago
 - Code for automated fitting of machine learned interatomic potentials.☆126Updated 3 weeks ago
 - A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆65Updated last week
 - A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated last month
 - A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated 2 weeks ago
 - A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 6 months ago
 - Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 4 months ago
 - Wyckoff Inorganic Crystal Generator Framework☆25Updated 7 months ago
 - ☆34Updated 3 years ago
 - GRACE models and gracemaker (as implemented in TensorPotential package)☆75Updated last week
 - Active Learning for Machine Learning Potentials☆59Updated 2 months ago
 - A collection of tools and databases for atomistic machine learning☆48Updated 4 years ago
 - This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆23Updated 2 years ago