Matgen-project / MOFNet
Deep learning model for predicting adsorption isotherms of MOFs
☆11Updated last year
Related projects: ⓘ
- 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
- ☆10Updated last year
- ☆16Updated last month
- A system for rapid identification and analysis of metal-organic frameworks☆41Updated 3 weeks ago
- ☆23Updated 6 months ago
- ☆13Updated last month
- ☆27Updated 3 years ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications]☆49Updated this week
- GNNs for predicting solubility of molecules in organic solvents using PyTorch and DGL☆10Updated 2 years ago
- ☆10Updated last week
- A Large Language Model of the CIF format for Crystal Structure Generation☆48Updated last week
- Code and Data for "Large Language Models for Inorganic Synthesis Prediction"☆24Updated 2 weeks ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆85Updated 3 months ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆17Updated 2 years ago
- Multi-modal conditioning diffusion model for MOFs generation☆11Updated last month
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆16Updated 3 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆24Updated last month
- ☆34Updated last week
- ☆30Updated 2 years ago
- A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…☆40Updated 2 weeks ago
- Composition-Conditioned Crystal GAN pytorch code☆41Updated 2 years ago
- ☆14Updated this week
- ☆47Updated 3 years ago
- Thermodynamically Explainable Representations of AI and other black-box Paradigms☆16Updated last month
- A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…☆15Updated last week
- CrysXPP: An Explainable Property Predictor for Crystalline Materials (NPJ Computational Materials - 2022)☆14Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆56Updated last month
- Source code for generating materials with 20 space groups using PGCGM☆27Updated last year
- ☆30Updated 4 years ago
- G-SchNet extension for SchNetPack☆45Updated 2 weeks ago