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。
#计算机科学#Graphormer is a general-purpose deep learning backbone for molecular modeling.
翻译 - 这是“变形金刚对图形表示真的很糟糕吗？”的官方实现。
A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery (EMNLP'24)
#Awesome#🏆 A ranked list of awesome atomistic machine learning projects ⚛️🧬💎.
#计算机科学#MatterSim: A deep learning atomistic model across elements, temperatures and pressures.
#计算机科学#PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.
#计算机科学#A comprehesive survey about foundation models for weather and cliamte data understanding.
#大语言模型#Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024
#自然语言处理#What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
#大语言模型#A general AI agent framework that can be adapted to various tasks and environments.
#Awesome#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
#数据仓库#List of Geometric GNNs for 3D atomic systems
#大语言模型#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
🧬 ReQFlow: Rectified Quaternion Flow for Efficient and High-Quality Protein Backbone Generation
#计算机科学#[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"