deepmodeling / AI4S-agent-toolsLinks
Collecting a variety of Agent-Ready tool modules
☆67Updated 2 weeks ago
Alternatives and similar repositories for AI4S-agent-tools
Users that are interested in AI4S-agent-tools are comparing it to the libraries listed below
Sorting:
- An open project initiated by the DeepModeling community focused on constructing intelligent agents for scientific research. It is committ…☆34Updated 3 months ago
- Predict and Inverse design for metal-organic framework with large-language models (llms)☆99Updated 6 months ago
- AI for crystal materials☆92Updated this week
- A repository for the LLM-Prop implementation☆49Updated last year
- KGFM☆38Updated 7 months ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆25Updated 10 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆136Updated last month
- ☆15Updated last year
- A knowledge graph unifying computational and experimental data for MOFs☆21Updated last week
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆106Updated 3 weeks ago
- The largest KG for material science☆25Updated last year
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆127Updated last week
- SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS☆126Updated last month
- Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows…☆73Updated 2 months ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆148Updated 6 months ago
- Open-sourced dialogue foundation model for Chemistry and molecule science☆90Updated 6 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆114Updated last year
- This is the code of KA-GNN☆78Updated last month
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆36Updated last month
- ☆22Updated 3 weeks ago
- Code and data used to create and evaluate LLM4Mat-Bench☆22Updated last week
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆83Updated 3 years ago
- Matbench: Benchmarks for materials science property prediction☆174Updated last year
- A repository for implementing graph network models based on atomic structures.☆95Updated last year
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆56Updated 2 years ago
- ChatGPT Chemistry Assistant☆86Updated 2 years ago
- Molecular graph deep sets learning for mixture property modeling.☆25Updated 9 months ago
- The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)☆121Updated 11 months ago
- ☆255Updated last year