parkjunkil / ZeoDiffLinks
☆20Updated 2 months ago
Alternatives and similar repositories for ZeoDiff
Users that are interested in ZeoDiff are comparing it to the libraries listed below
Sorting:
- ☆35Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆74Updated 8 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 3 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Updated last year
- Basic sanity checks for MOFs.☆35Updated 2 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated last month
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆20Updated last year
- MACE-OFF23 models☆59Updated last year
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆27Updated 10 months ago
- Heat capacity predictor for porous materials☆13Updated last year
- Charge equilibration method for crystal structures☆17Updated 3 years ago
- Original implementation of CSPML☆29Updated last year
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆33Updated last year
- A system for rapid identification and analysis of metal-organic frameworks☆69Updated 2 months ago
- Python library for the construction of porous materials using topology and building blocks.☆84Updated 8 months ago
- ☆15Updated 2 years ago
- ☆52Updated 3 years ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆22Updated 3 years ago
- Python package to interact with high-dimensional representations of the chemical elements☆49Updated last week
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Updated last year
- ☆24Updated last year
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆41Updated last week
- Algorithms to analyze and predict molecular structures☆24Updated 7 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆61Updated 4 months ago
- ☆18Updated 2 years ago
- AiiDA workflows for the LSMO laboratory at EPFL☆10Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Updated last year
- The MOF website for property prediction and community engagement.☆38Updated 3 months ago