facebookresearch / crystal-text-llm
Large language models to generate stable crystals.
☆97Updated 8 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
- A repository for the LLM-Prop implementation☆33Updated 9 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆46Updated 3 months ago
- ☆42Updated 10 months ago
- Text-based modeling of materials.☆27Updated 2 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆108Updated 3 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆85Updated last year
- ☆55Updated 2 months ago
- How good are LLMs at chemistry?☆58Updated this week
- A Large Language Model of the CIF format for Crystal Structure Generation☆88Updated last month
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆73Updated 7 months ago
- ☆44Updated 2 months ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆73Updated 6 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆47Updated last year
- Uncover meaningful structures of latent spaces learned by generative models with flows!☆41Updated 9 months ago
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆137Updated 6 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT☆88Updated last month
- A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…☆74Updated 4 months ago
- A public repository collecting links to state of the art QA and evaluation sets for various ML and LLM applications☆89Updated 7 months ago
- Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality …☆76Updated 3 months ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆31Updated last week
- [TMLR 2023] Training and simulating MD with ML force fields☆108Updated 3 months ago
- ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning☆40Updated last week
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆45Updated last year
- The official code respository for "Crystalformer: Infinitely Connected Attention for Periodic Structure Encoding" (ICLR 2024)☆14Updated 2 weeks ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆84Updated last month
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆95Updated last week
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- CrysMMNet: Multimodal Representation for Crystal Property Prediction (UAI-2023)☆13Updated 7 months ago
- Large Language Model for Catalyst Property Prediction☆23Updated 11 months ago