materials-data-facility / llm-resourcesLinks
☆20Updated last year
Alternatives and similar repositories for llm-resources
Users that are interested in llm-resources are comparing it to the libraries listed below
Sorting:
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Updated 9 months ago
- Microcourses hosted by the Acceleration Consortium for self-driving lab topics.☆31Updated last month
- Software for evaluating pareto-optimal synthesis pathways☆25Updated last year
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- ☆26Updated 9 months ago
- A software for automating materials science computations☆31Updated 2 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- 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
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Updated 4 months ago
- Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…☆12Updated 2 years ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 6 months ago
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆31Updated 11 months ago
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 3 months ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆20Updated 4 months ago
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated last year
- ☆26Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- This app is an ASE-base workflow used to reproduce a rational initial SEI morphology at the atomic scale by stochastically placing the cr…☆11Updated 2 weeks ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆45Updated last month
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated 2 weeks ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Updated 10 months ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 7 months ago
- Deep learning framework for atomistic image data☆34Updated 2 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆36Updated 3 weeks ago
- Alchemical machine learning interatomic potentials☆29Updated 9 months ago
- a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…☆18Updated last year