vertaix / LLM-Prop
A repository for the LLM-Prop implementation
☆28Updated 6 months ago
Related projects ⓘ
Alternatives and complementary repositories for LLM-Prop
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆64Updated 4 months ago
- ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data☆73Updated 3 months ago
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT☆76Updated this week
- Large language models to generate stable crystals.☆82Updated 5 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆43Updated 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…☆65Updated last month
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆44Updated last year
- Text-based modeling of materials.☆25Updated 3 weeks ago
- ☆10Updated 2 months ago
- Chemist AI Agent for Developing Materials Datasets with Natural Language Prompts☆41Updated last week
- Language-interfaced fine-tuning for chemistry☆32Updated 11 months ago
- ☆20Updated 6 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆81Updated 11 months ago
- Large Language Model for Catalyst Property Prediction☆22Updated 8 months ago
- What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks☆127Updated 3 months ago
- Scalable graph neural networks for materials property prediction☆48Updated 10 months ago
- G-SchNet extension for SchNetPack☆49Updated 2 weeks ago
- Higher-order equivariant neural networks for charge density prediction in materials☆38Updated 3 weeks ago
- Code for generation and benchmarks of the Multimodal Spectroscopic Dataset☆24Updated last month
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆113Updated 5 months ago
- How good are LLMs at chemistry?☆54Updated this week
- An atom-bond transformer-based message passing neural network for molecular property prediction.☆32Updated last year
- ChemReasoner - Catalyst Discovery via Large Language Model-driven Reasoning☆33Updated this week
- Transformer-based model for chemical reactions☆61Updated 3 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆70Updated last month
- ☆24Updated 3 months ago
- Heterogeneous relational message passing networks (HermNet)☆15Updated 2 years ago
- ChatGPT Chemistry Assistant