MatSciEdu / DSM-CORELinks
Data Science for Materials - Collection of Open Educational Resources
☆16Updated 2 months ago
Alternatives and similar repositories for DSM-CORE
Users that are interested in DSM-CORE are comparing it to the libraries listed below
Sorting:
- Official repository for the paper "Higher-Rank Irreducible Cartesian Tensors for Equivariant Message Passing".☆15Updated 2 weeks ago
- RAGSkeleton: A foundational, modular framework for building customizable Retrieval-Augmented Generation (RAG) systems across any domain.☆12Updated 2 months ago
- ☆20Updated last year
- SLMat: ServerLess Materials Design Toolkit, Preprint: https://doi.org/10.26434/chemrxiv-2024-fqq27☆20Updated 3 months ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated 2 years ago
- ☆26Updated 2 weeks ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- pymatgen-analysis-alloys is an add-on package for pymatgen intended to contain useful classes for describing alloy systems and analyzing …☆15Updated 2 weeks ago
- predicting charges on MOF atoms via a message passing MOFs☆24Updated 5 years ago
- 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
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆20Updated 4 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆32Updated 10 months ago
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆25Updated 7 months ago
- A graph database tool for experimental data in materials science and chemistry.☆19Updated 7 months ago
- Vote on whether you think predicted crystal structures could be synthesised☆18Updated last year
- A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…☆19Updated 9 months ago
- ☆22Updated 9 months ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Charge equilibration method for crystal structures☆13Updated 2 years ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- A software for automating materials science computations☆31Updated 2 months ago
- MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials☆39Updated 2 weeks ago
- ☆11Updated last year
- Basic sanity checks for MOFs.☆30Updated 2 years ago
- ☆26Updated 9 months ago
- Modulated automation of cluster expansion based on atomate2 and Jobflow☆12Updated this week
- A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.☆19Updated last year
- Tutorial exercises for the OPTIMADE API☆16Updated last year
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago