atomgptlab / chatgpt_material_explorerLinks
CME-ChatGPT Material Explorer
☆19Updated 3 months ago
Alternatives and similar repositories for chatgpt_material_explorer
Users that are interested in chatgpt_material_explorer are comparing it to the libraries listed below
Sorting:
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆12Updated 4 months ago
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆18Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated last week
- Deep learning framework for atomistic image data☆34Updated 2 months ago
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆19Updated 2 weeks ago
- ☆31Updated last year
- Tutorial on LLMs and agents☆26Updated last month
- Project to setup and analyze interface calculations using density functional theory.☆22Updated last month
- ☆21Updated 5 years ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated last year
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆23Updated 6 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 9 months ago
- General purpose tools for high-throughput catalysis☆96Updated 5 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 11 months ago
- Data Science for Materials Science☆65Updated this week
- Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim☆69Updated 3 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆40Updated last month
- Tutorials for using the pymatgen library☆61Updated 5 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated 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 2 years ago
- ☆21Updated last year
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Plots for "Machine-learned and codified synthesis parameters of oxide materials" in the journal Scientific Data☆14Updated 8 years ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆63Updated this week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 11 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated last week
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- ☆16Updated 3 years ago