dptech-corp / Uni-MOF
☆22Updated 8 months ago
Related projects ⓘ
Alternatives and complementary repositories for Uni-MOF
- Basic sanity checks for MOFs.☆22Updated last year
- ☆16Updated 3 months ago
- This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials☆13Updated last year
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆46Updated 2 months ago
- ☆36Updated 2 years ago
- ☆10Updated last year
- Example scripts using the CSD Python API☆60Updated this week
- A system for rapid identification and analysis of metal-organic frameworks☆46Updated 2 months ago
- ☆27Updated 3 years ago
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆17Updated last month
- Universal Transfer Learning in Porous Materials, including MOFs.☆86Updated 4 months ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆15Updated 2 years ago
- An ecosystem for digital reticular chemistry☆43Updated last month
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆18Updated 2 years ago
- A Reinforcement Framework for Inverse Design of MOFs☆24Updated 3 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆53Updated last month
- ☆48Updated 3 years ago
- Multi-modal conditioning diffusion model for MOFs generation☆14Updated 3 months ago
- sTDA-xTB Hamiltonian for ground state☆16Updated 2 years ago
- ☆14Updated last month
- Split a MOF into its building blocks.☆20Updated last year
- ☆29Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆34Updated last year
- ☆31Updated 4 years ago
- Poltype 2: Automated Parameterization and Free Energy Prediction for AMOEBA☆41Updated this week
- Deep learning model for predicting adsorption isotherms of MOFs☆12Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆20Updated 4 months ago
- An elementary MD simulation program written in python☆23Updated 3 years ago
- Heat capacity predictor for porous materials☆13Updated 4 months ago
- This software is a general purpose classical simulation package.☆43Updated this week