kaist-amsg / Synthesizability-PU-CGCNN
☆30Updated 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:
- ☆30Updated 3 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Mirror of http://zeoplusplus.org/☆9Updated 7 years ago
- An ecosystem for digital reticular chemistry☆48Updated 8 months ago
- Crystal Edge Graph Attention Neural Network☆21Updated 10 months ago
- ☆16Updated 9 months ago
- Original implementation of CSPML☆24Updated 4 months ago
- ☆32Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆18Updated 3 years ago
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆53Updated 5 months ago
- FTCP code☆34Updated last year
- image-based generative model for inverse design of solid state materials☆39Updated 3 years ago
- Basic sanity checks for MOFs.☆27Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆43Updated this week
- Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures☆15Updated 2 years ago
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- A text-guided diffusion model for crystal structure generation☆39Updated 3 months ago
- ☆24Updated 8 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆27Updated 9 months ago
- ☆53Updated 4 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆33Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 11 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Heat capacity predictor for porous materials☆12Updated 11 months ago
- The Element Movers Distance for chemical composition similarity☆34Updated last month
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- ☆43Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated last month
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆35Updated 5 years ago