materialsalchemist / crystalfeaturesLinks
☆22Updated 2 years ago
Alternatives and similar repositories for crystalfeatures
Users that are interested in crystalfeatures are comparing it to the libraries listed below
Sorting:
- Heat capacity predictor for porous materials☆12Updated 11 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- ☆30Updated 3 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆24Updated 2 years ago
- Original implementation of CSPML☆24Updated 5 months ago
- This is the Python code and original data of "Machine-Learning Guided Discovery and Optimization of Additives in Preparing Cu Catalyst fo…☆7Updated 2 years ago
- ☆54Updated 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 …☆19Updated 3 years ago
- Basic sanity checks for MOFs.☆28Updated last year
- Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".☆28Updated 5 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆18Updated 2 months ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆22Updated 11 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 11 months ago
- Mirror of http://zeoplusplus.org/☆9Updated 7 years ago
- Deep learning model for predicting adsorption isotherms of MOFs☆14Updated 2 years ago
- Shared repo for trajectory analysis and infrastructure development☆19Updated last year
- ☆43Updated 2 years ago
- ☆21Updated last month
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆35Updated 11 months ago
- ☆29Updated last year
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆16Updated last year
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆21Updated 3 years ago
- ☆31Updated 3 years ago
- An ecosystem for digital reticular chemistry☆48Updated 8 months ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆54Updated last month
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- rule-based virtual polymer library generator☆36Updated this week
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆12Updated 7 months ago