kaist-amsg / Cryslator
☆12Updated last year
Alternatives and similar repositories for Cryslator:
Users that are interested in Cryslator are comparing it to the libraries listed below
- Heat capacity predictor for porous materials☆13Updated 7 months ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- Original implementation of CSPML☆23Updated last month
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆35Updated 7 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆24Updated 3 weeks ago
- A text-guided diffusion model for crystal structure generation☆34Updated this week
- Deep learning model for predicting adsorption isotherms of MOFs☆13Updated 2 years ago
- ☆11Updated last year
- Wyckoff Inorganic Crystal Generator Framework☆20Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated 2 months ago
- Basic sanity checks for MOFs.☆23Updated last year
- A Reinforcement Framework for Inverse Design of MOFs☆24Updated 5 months ago
- Metadynamics code on the G-space.☆14Updated 2 years ago
- ☆29Updated 3 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆39Updated this week
- Active Learning for Machine Learning Potentials☆48Updated 8 months ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- ☆16Updated 5 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆33Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆48Updated last month
- Composition-Conditioned Crystal GAN pytorch code☆42Updated 2 years ago
- ☆23Updated 2 months ago
- ☆39Updated 2 years ago
- Python interface for the zeo++ package☆9Updated 5 months ago
- An ecosystem for digital reticular chemistry☆44Updated 4 months ago
- MACE-OFF23 models☆30Updated this week
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆37Updated last month
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆16Updated last year
- ☆26Updated 2 years ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆25Updated 2 months ago