facebookresearch / crystal-text-llmLinks
Large language models to generate stable crystals.
☆103Updated 11 months ago
Alternatives and similar repositories for crystal-text-llm
Users that are interested in crystal-text-llm are comparing it to the libraries listed below
Sorting:
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆56Updated 7 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆96Updated last year
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆35Updated 3 months ago
- A repository for the LLM-Prop implementation☆36Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆133Updated 7 months ago
- ☆56Updated 5 months ago
- Text-based modeling of materials.☆32Updated 6 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆95Updated last week
- ☆16Updated 2 weeks ago
- ☆46Updated 5 months ago
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆221Updated last week
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆75Updated 9 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆94Updated 10 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆119Updated last year
- [COLING 2025]A curated paper list about LLMs for chemistry☆51Updated this week
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆82Updated 7 months ago
- ☆19Updated 3 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆53Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆61Updated 7 months ago
- ☆34Updated 3 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆48Updated last year
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆33Updated 3 weeks ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆117Updated last month
- [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential☆50Updated 2 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆107Updated 2 months ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆17Updated 11 months ago
- AI for crystal materials☆54Updated this week
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆151Updated 10 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 7 months ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆38Updated 3 weeks ago