facebookresearch / crystal-text-llm
Large language models to generate stable crystals.
☆100Updated 9 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
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆52Updated 5 months ago
- A repository for the LLM-Prop implementation☆34Updated 10 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆89Updated 3 weeks ago
- ☆56Updated 3 months ago
- Text-based modeling of materials.☆31Updated 3 months ago
- Official implementation of All Atom Diffusion Transformers☆135Updated this week
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆89Updated 8 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆49Updated last year
- ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning☆45Updated this week
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆139Updated 7 months ago
- ☆46Updated 3 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆76Updated 3 weeks ago
- ☆42Updated 11 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆119Updated 9 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆32Updated last month
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆116Updated 4 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆91Updated last year
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆46Updated last year
- How good are LLMs at chemistry?☆67Updated last week
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆74Updated 7 months ago
- [TMLR 2023] Training and simulating MD with ML force fields☆111Updated 4 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆110Updated 8 months ago
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆75Updated 5 months ago
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆41Updated 10 months ago
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆15Updated 8 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆98Updated 2 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆89Updated 2 years ago
- G-SchNet extension for SchNetPack☆56Updated 4 months ago
- List of Geometric GNNs for 3D atomic systems☆104Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆98Updated this week