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 trainable PyTorch reproduction of AlphaFold 3.

PaddleScience is SDK and library for developing AI-driven scientific computing applications based on PaddlePaddle.

Code and datasets for paper "K2: A Foundation Language Model for Geoscience Knowledge Understanding and Utilization" in WSDM-2024

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

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"

[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

[NeurIPS 2023] This is the official code for the paper "TPSR: Transformer-based Planning for Symbolic Regression"

The official code for "TaxDiff: Taxonomic-Guided Diffusion Model for Protein Sequence Generation"

[ICLR 2022] The implementation for the paper "Equivariant Graph Mechanics Networks with Constraints".

A Text-guided Protein Design Framework, Nat Mach Intell 2025

Graph-Aware Attention for Adaptive Dynamics in Transformers

ImageMol is a molecular image-based pre-training deep learning framework for computational drug discovery.

[ICLR 2024 Spotlight] This is the official code for the paper "SNIP: Bridging Mathematical Symbolic and Numeric Realms with Unified Pre-training"

[ICLR'24] "DeepZero: Scaling up Zeroth-Order Optimization for Deep Model Training" by Aochuan Chen*, Yimeng Zhang*, Jinghan Jia, James Diffenderfer, Jiancheng Liu, Konstantinos Parasyris, Yihua Zhang, Zheng Zhang, Bhavya Kailkhura, Sijia Liu

ChatCell: Facilitating Single-Cell Analysis with Natural Language