kaist-amsg / Synthesizability-PU-CGCNNLinks
☆34Updated 3 years ago
Alternatives and similar repositories for Synthesizability-PU-CGCNN
Users that are interested in Synthesizability-PU-CGCNN are comparing it to the libraries listed below
Sorting:
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆20Updated last year
- Original implementation of CSPML☆28Updated 10 months ago
- The MOF website for property prediction and community engagement.☆36Updated 3 weeks ago
- ☆30Updated 4 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- image-based generative model for inverse design of solid state materials☆41Updated 3 years ago
- Basic sanity checks for MOFs.☆32Updated 2 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆32Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆32Updated last year
- ☆34Updated last month
- Active Learning for Machine Learning Potentials☆61Updated 3 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Mirror of http://zeoplusplus.org/☆11Updated 7 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 7 months ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆38Updated last month
- ☆18Updated 5 months ago
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆36Updated this week
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- ☆65Updated 4 years ago
- An ecosystem for digital reticular chemistry☆51Updated last year
- ☆48Updated 3 years ago
- ☆19Updated 8 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆59Updated last month
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15Updated 3 years ago