A high-quality tool for convert PDF to Markdown and JSON.一站式开源高质量数据提取工具，将PDF转换成Markdown和JSON格式。
Graphormer is a general-purpose deep learning backbone for molecular modeling.
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)
🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
A Python toolkit for fine-tuning Geospatial Foundation Models (GFMs).
A comprehesive survey about foundation models for weather and cliamte data understanding.
The resources of LucaOne, including: the model code, training scripts, embedding inference code, and trained checkpoints.
Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
Recent advancements propelled by large language models (LLMs), encompassing an array of domains including Vision, Audio, Agent, Robotics, Fundamental Sciences such as Mathematics, and Ominous.
Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
List of Geometric GNNs for 3D atomic systems
A general AI agent framework that can be adapted to various tasks and environments.
Official code repo for the paper "LlaSMol: Advancing Large Language Models for Chemistry with a Large-Scale, Comprehensive, High-Quality Instruction Tuning Dataset"
A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scientist powered by @materialsproject, @langchain-ai, and @openai
[ICLR 2025 Oral] This is the official repo for the paper "LLM-SR" on Scientific Equation Discovery and Symbolic Regression with Large Language Models
[ICLR'25] ScienceAgentBench: Toward Rigorous Assessment of Language Agents for Data-Driven Scientific Discovery
Add a description, image, and links to the ai4science topic page so that developers can more easily learn about it.
To associate your repository with the ai4science topic, visit your repo's landing page and select "manage topics."