hspark1212 / MOFTransformerLinks
Universal Transfer Learning in Porous Materials, including MOFs.
☆114Updated last year
Alternatives and similar repositories for MOFTransformer
Users that are interested in MOFTransformer are comparing it to the libraries listed below
Sorting:
- Python library for the construction of porous materials using topology and building blocks.☆80Updated 5 months ago
- ☆65Updated 4 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆20Updated 4 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆36Updated 3 weeks ago
- A system for rapid identification and analysis of metal-organic frameworks☆63Updated 11 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated last month
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- AI for crystal materials☆91Updated last week
- FTCP code☆35Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- The MOF website for property prediction and community engagement.☆36Updated 3 weeks ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆126Updated this week
- ☆30Updated last year
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- Zeolite GAN☆24Updated 5 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆56Updated last month
- Example scripts using the CSD Python API☆83Updated 2 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆79Updated 2 years ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆25Updated 10 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- AI-enhanced computational chemistry☆115Updated this week
- MACE foundation models (MP, OMAT, Matpes)☆164Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆129Updated this week
- Large Language Models Material Miner☆45Updated 9 months ago
- Supporting material for the paper "Data driven collective variables for enhanced sampling"☆20Updated last year
- A text-guided diffusion model for crystal structure generation☆66Updated 5 months ago
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆65Updated 4 months ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆155Updated this week