CederGroupHub / s4
Solid-state synthesis science analyzer. Thermo, features, ML, and more.
☆24Updated 2 years ago
Alternatives and similar repositories for s4:
Users that are interested in s4 are comparing it to the libraries listed below
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆17Updated 4 months ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated 10 months ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 2 months ago
- ☆66Updated last year
- ☆29Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆86Updated this week
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- ☆16Updated last year
- The Element Movers Distance for chemical composition similarity☆34Updated 3 weeks ago
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆12Updated last year
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆32Updated 2 months ago
- Mirror of http://zeoplusplus.org/☆9Updated 6 years ago
- Defect analysis modules for pymatgen☆47Updated this week
- Python interface for the zeo++ package☆9Updated 7 months ago
- ☆27Updated last year
- Python package to analyse the structural dynamics of perovskites☆41Updated 3 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆22Updated 2 months ago
- Phonons from ML force fields☆18Updated this week
- Wyckoff Inorganic Crystal Generator Framework☆21Updated last month
- ☆37Updated 6 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆36Updated 2 months ago
- High-throughput DFT of MOFs using ASE/VASP☆27Updated last year
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆37Updated last year
- ☆21Updated 4 years ago
- Active Learning for Machine Learning Potentials☆54Updated 10 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆41Updated last week
- The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net☆12Updated last year
- A lightweight python package for reading and writing VASP ML_AB files☆36Updated last month
- GRACE models and gracemaker (as implemented in TensorPotential package)☆55Updated last week