CederGroupHub / SynthesisSimilarityLinks
☆31Updated last year
Alternatives and similar repositories for SynthesisSimilarity
Users that are interested in SynthesisSimilarity are comparing it to the libraries listed below
Sorting:
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆71Updated 3 weeks ago
- An ecosystem for digital reticular chemistry☆49Updated 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.☆37Updated last year
- Python package to interact with high-dimensional representations of the chemical elements☆44Updated last week
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- A text-guided diffusion model for crystal structure generation☆63Updated 3 months ago
- ☆16Updated 3 months ago
- Active Learning for Machine Learning Potentials☆56Updated last month
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆31Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- ☆33Updated 3 years ago
- ☆33Updated 5 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆21Updated 5 months ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 4 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- A unified platform for fine-tuning atomistic foundation models in chemistry and materials science☆57Updated 2 weeks ago
- ☆18Updated 2 years ago
- Heat capacity predictor for porous materials☆12Updated last year
- The Wren sits on its Roost in the Aviary.☆60Updated last month
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 9 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆30Updated last year
- Predict the electronic structure and atomic properties (potential energy, forces, and stress tensor) of polymers containing N and/or O.☆21Updated last year
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆59Updated 2 months ago
- ☆48Updated 3 years ago
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆68Updated 2 months ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- Machine-Learned Interatomic Potential eXploration (mlipx) is designed at BASF for evaluating machine-learned interatomic potentials (MLIP…☆92Updated 2 weeks ago