usccolumbia / mtransformerLinks
Materials Transformers
☆25Updated 2 years ago
Alternatives and similar repositories for mtransformer
Users that are interested in mtransformer are comparing it to the libraries listed below
Sorting:
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆34Updated 5 years ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated last month
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- ☆10Updated last month
- ☆31Updated 3 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆77Updated 3 years ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- A benchmark dataset for polymer informatics.☆73Updated 4 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- ☆28Updated 3 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆110Updated 6 months ago
- FTCP code☆35Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆116Updated 6 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 8 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆114Updated 4 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆98Updated last year
- ☆33Updated 4 years ago
- ☆30Updated 4 years ago
- GemNet model in TensorFlow, as proposed in "GemNet: Universal Directional Graph Neural Networks for Molecules" (NeurIPS 2021)☆26Updated 2 years ago
- Multimodal Transformer for Predicting Global Minimum Adsorption Energy☆19Updated 4 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆107Updated last year
- G-SchNet extension for SchNetPack☆60Updated 9 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆69Updated 3 weeks ago
- A text-guided diffusion model for crystal structure generation☆62Updated 2 months ago