hspark1212 / MOFTransformer
Universal Transfer Learning in Porous Materials, including MOFs.
☆95Updated 10 months ago
Alternatives and similar repositories for MOFTransformer:
Users that are interested in MOFTransformer are comparing it to the libraries listed below
- Python library for the construction of porous materials using topology and building blocks.☆65Updated 4 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆99Updated 3 months ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆75Updated 3 months ago
- FTCP code☆33Updated last year
- Example scripts using the CSD Python API☆71Updated last week
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆18Updated 3 years ago
- ☆53Updated 4 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆53Updated 4 months ago
- An object-aware diffusion model for generating chemical reactions☆124Updated 10 months ago
- ☆26Updated last year
- A repository for implementing graph network models based on atomic structures.☆76Updated 8 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆102Updated 3 weeks ago
- PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.☆34Updated 9 months ago
- Deep learning model for predicting adsorption isotherms of MOFs☆14Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- ☆24Updated 8 months ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated 8 months ago
- Implementation of "TransPolymer: a Transformer-based language model for polymer property predictions" in PyTorch☆67Updated last year
- AI-enhanced computational chemistry☆79Updated 3 weeks ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆39Updated 4 months ago
- Tool for the canonicalization of Polymer SMILES (P🙂) strings☆22Updated 7 months ago
- A unified framework for machine learning collective variables for enhanced sampling simulations☆104Updated last week
- ☆27Updated 5 months ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆40Updated this week
- A benchmark dataset for polymer informatics.☆59Updated 3 years ago
- train and use graph-based ML models of potential energy surfaces☆85Updated last week
- ☆43Updated 2 years ago
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- ☆21Updated last year
- ☆10Updated 3 months ago